SMILES for Serine protease HTRA2, mitochondrial

29 SMILES Strings for Serine protease HTRA2, mitochondrial

Compound Name

SMILES String

CC(C)C[C@@H]1N2[C@H](O)CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(C)NC(=O)OCc3ccccc3)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)N(C)C1=O)C(C)C)C(C)C)C2=O |r|

BDBM521743

CC(C)C[C@@H]1N2[C@H](O)CC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(C)NC(=O)OCc3ccccc3)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)N(C)C1=O)C(C)C)C2=O |r|

BDBM521744

CC(C)C[C@@H]1N2[C@H](O)CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(C)NC(=O)OCc3ccccc3)[C@H](OC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)N(C)C1=O)C(C)C)c1ccccc1)C(C)C)C2=O |r|

BDBM521745

CC(C)C[C@@H]1N2[C@H](O)CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)C(C)NC(=O)OCc3ccccc3)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)N(C)C1=O)C(C)C)C(C)C)C2=O |r|

BDBM521746

CC(C)C[C@@H]1N2[C@H](O)CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)N(C)C1=O)C(C)C)C(C)C)C2=O |r|

BDBM521747

CC(C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(C)NC(=O)OCc2ccccc2)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N2[C@H](O)CC[C@H](NC1=O)C2=O)C(C)C |r|

BDBM521748

CC(C)C[C@@H]1N2[C@H](O)CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(C)NC(=O)OCc3ccccc3)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](C)N(C)C1=O)C(C)C)C(C)C)C2=O |r|

BDBM521749

CC(C)C[C@@H]1N2[C@H](O)CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(C)NC(=O)OCc3ccccc3)[C@@H](C)OC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)N(C)C1=O)C(C)C)C2=O |r|

BDBM521750

CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(C)NC(=O)OCc2ccccc2)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N2[C@H](O)CC[C@H](NC1=O)C2=O)C(C)C |r|

BDBM521751

CC(C)C[C@@H]1N2[C@H](O)CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(C)NC(=O)OCc3ccccc3)[C@H](OC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)N(C)C1=O)C(C)C)C(C)C)C(C)C)C2=O |r|

BDBM521752

CC(C)C[C@@H]1N2[C@H](O)CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CCc3ccccc3)[C@H](OC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)N(C)C1=O)C(C)C)C(C)C)C(C)C)C2=O |r|

BDBM521753

CC(C)C[C@@H]1N2[C@H](O)CC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(C)NC(=O)OCc3ccccc3)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)N(C)C1=O)C(C)C)C2=O |r|

BDBM521754

CC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(C)NC(=O)OCc2ccccc2)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N2[C@H](O)CC[C@H](NC1=O)C2=O)C(C)C |r|

BDBM521755

CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(C)NC(=O)OCc2ccccc2)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N2[C@H](O)CC[C@H](NC1=O)C2=O)C(C)C |r|

BDBM521756

CCC(C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(C)NC(=O)OCc2ccccc2)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N2[C@H](O)CC[C@H](NC1=O)C2=O)C(C)C |r|

BDBM521757

CC(C)C[C@@H]1N2[C@H](O)CC[C@H](NC(=O)[C@H](CC=C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(C)NC(=O)OCc3ccccc3)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)N(C)C1=O)C(C)C)C2=O |r|

BDBM521759

CC(C)C[C@@H]1N2[C@H](O)CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(C)NC(=O)OCc3ccccc3)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)N(C)C1=O)C(C)C)C1CC1)C2=O |r|

BDBM521760

CC(C)C[C@@H]1N2[C@H](O)CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(C)NC(=O)OCc3ccccc3)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)N(C)C1=O)C(C)C)C(C)(C)C)C2=O |r|

BDBM521761

CC(C)C[C@@H]1N2[C@H](O)CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(C)NC(=O)OCc3ccccc3)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)N(C)C1=O)C(C)C)C1CCCCC1)C2=O |r|

BDBM50614600

CC(C)C[C@H](NC(=O)CCCCCNC(=O)c1ccc(C(O)=O)c(c1)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1 |r,wU:44.48,63.68,wD:4.3,55.60,(3.34,-4.65,;3.34,-3.11,;4.67,-2.34,;2,-2.34,;2,-.8,;.67,-.03,;-.66,-.8,;-.66,-2.34,;-2,-.03,;-3.33,-.8,;-4.67,-.03,;-6,-.8,;-7.33,-.03,;-8.67,-.8,;-10,-.03,;-10,1.51,;-11.33,-.8,;-11.33,-2.34,;-12.66,-3.11,;-14,-2.34,;-15.33,-3.11,;-15.33,-4.65,;-16.1,-1.78,;-14,-.8,;-12.66,-.03,;-15.33,-.03,;-16.67,-.8,;-16.67,-2.34,;-17.99,-3.11,;-19.34,-2.35,;-20.67,-3.12,;-19.34,-.8,;-18,-.02,;-18,1.52,;-16.66,2.28,;-16.66,3.82,;-15.33,4.59,;-15.33,6.13,;-14,3.82,;-13.99,2.28,;-15.33,1.51,;3.34,-.03,;3.34,1.51,;4.67,-.8,;6,-.03,;6,1.51,;7.34,2.28,;7.34,3.82,;8.67,4.59,;10,3.82,;10,2.29,;8.68,1.51,;7.34,-.8,;7.34,-2.34,;8.67,-.03,;10,-.8,;10,-2.34,;11.34,-3.11,;11.34,-4.65,;12.67,-2.34,;11.34,-.03,;11.34,1.51,;12.67,-.8,;14.01,-.03,;14.01,1.51,;12.67,2.28,;15.34,2.28,;15.34,-.8,;14.57,-2.13,;16.67,-.03,;18.01,-.8,;19.34,-.03,;20.67,-.8,;20.67,-2.34,;19.34,-3.1,;18.01,-2.34,;16.11,-2.13,;15.34,-3.46,;16.1,-4.8,;15.33,-6.13,;13.79,-6.13,;13.02,-4.8,;13.79,-3.46,)|

BDBM50614601

CC(C)C[C@H](NC(=O)CCCCCNC(=O)c1ccc(C(O)=O)c(c1)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1 |r,wU:44.48,64.69,wD:4.3,55.60,(3.34,-4.65,;3.34,-3.11,;4.67,-2.34,;2,-2.34,;2,-.8,;.67,-.03,;-.66,-.8,;-.66,-2.34,;-2,-.03,;-3.33,-.8,;-4.67,-.03,;-6,-.8,;-7.33,-.03,;-8.67,-.8,;-10,-.03,;-10,1.51,;-11.33,-.8,;-11.33,-2.34,;-12.66,-3.11,;-14,-2.34,;-15.33,-3.11,;-15.33,-4.65,;-16.1,-1.78,;-14,-.8,;-12.66,-.03,;-15.33,-.03,;-16.67,-.8,;-16.67,-2.34,;-17.99,-3.11,;-19.34,-2.35,;-20.67,-3.12,;-19.34,-.8,;-18,-.02,;-18,1.52,;-16.66,2.28,;-16.66,3.82,;-15.33,4.59,;-15.33,6.13,;-14,3.82,;-13.99,2.28,;-15.33,1.51,;3.34,-.03,;3.34,1.51,;4.67,-.8,;6,-.03,;6,1.51,;7.34,2.28,;7.34,3.82,;8.67,4.59,;10,3.82,;10,2.29,;8.68,1.51,;7.34,-.8,;7.34,-2.34,;8.67,-.03,;10,-.8,;10,-2.34,;11.34,-3.11,;11.34,-4.65,;12.67,-2.34,;12.67,-3.88,;11.34,-.03,;11.34,1.51,;12.67,-.8,;14.01,-.03,;14.01,1.51,;12.67,2.28,;15.34,2.28,;15.34,-.8,;14.57,-2.13,;16.67,-.03,;18.01,-.8,;19.34,-.03,;20.67,-.8,;20.67,-2.34,;19.34,-3.1,;18.01,-2.34,;16.11,-2.13,;15.34,-3.46,;16.1,-4.8,;15.33,-6.13,;13.79,-6.13,;13.02,-4.8,;13.79,-3.46,)|

BDBM50614602

CC(C)C[C@H](NC(=O)CCCCCNC(=O)c1ccc(C(O)=O)c(c1)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CC1)C(=O)N[C@@H](C(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1 |r,wU:44.48,63.69,wD:4.3,55.60,(3.34,-4.65,;3.34,-3.11,;4.67,-2.34,;2,-2.34,;2,-.8,;.67,-.03,;-.66,-.8,;-.66,-2.34,;-2,-.03,;-3.33,-.8,;-4.67,-.03,;-6,-.8,;-7.33,-.03,;-8.67,-.8,;-10,-.03,;-10,1.51,;-11.33,-.8,;-11.33,-2.34,;-12.66,-3.11,;-14,-2.34,;-15.33,-3.11,;-15.33,-4.65,;-16.1,-1.78,;-14,-.8,;-12.66,-.03,;-15.33,-.03,;-16.67,-.8,;-16.67,-2.34,;-17.99,-3.11,;-19.34,-2.35,;-20.67,-3.12,;-19.34,-.8,;-18,-.02,;-18,1.51,;-16.66,2.28,;-16.66,3.82,;-15.33,4.59,;-15.33,6.13,;-14,3.82,;-13.99,2.28,;-15.33,1.51,;3.34,-.03,;3.34,1.51,;4.67,-.8,;6,-.03,;6,1.51,;7.34,2.28,;7.34,3.82,;8.67,4.59,;10,3.82,;10,2.29,;8.68,1.51,;7.34,-.8,;7.34,-2.34,;8.67,-.03,;10,-.8,;10,-2.34,;11.34,-3.11,;12.11,-4.44,;12.88,-3.11,;11.34,-.03,;11.34,1.51,;12.67,-.8,;14.01,-.03,;14.01,1.51,;12.67,2.28,;15.34,2.28,;15.34,-.8,;14.57,-2.13,;16.67,-.03,;18.01,-.8,;19.34,-.03,;20.67,-.8,;20.67,-2.34,;19.34,-3.1,;18.01,-2.34,;16.11,-2.13,;15.34,-3.46,;16.1,-4.8,;15.33,-6.13,;13.79,-6.13,;13.02,-4.8,;13.79,-3.46,)|

BDBM50614603

CC(C)C[C@H](NC(=O)CCCCCNC(=O)c1ccc(C(O)=O)c(c1)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1 |r,wU:44.48,67.73,wD:4.3,59.65,(3.34,-5.03,;3.34,-3.49,;4.67,-2.72,;2,-2.72,;2,-1.18,;.67,-.41,;-.66,-1.18,;-.66,-2.72,;-2,-.41,;-3.33,-1.18,;-4.67,-.41,;-6,-1.18,;-7.33,-.41,;-8.67,-1.18,;-10,-.41,;-10,1.13,;-11.33,-1.18,;-11.33,-2.72,;-12.66,-3.49,;-14,-2.73,;-15.33,-3.5,;-15.33,-5.04,;-16.1,-2.16,;-14,-1.18,;-12.66,-.41,;-15.33,-.41,;-16.67,-1.18,;-16.67,-2.72,;-17.99,-3.5,;-19.34,-2.73,;-20.67,-3.5,;-19.34,-1.18,;-18,-.41,;-18,1.13,;-16.66,1.9,;-16.66,3.43,;-15.33,4.2,;-15.33,5.74,;-14,3.44,;-13.99,1.9,;-15.33,1.13,;3.34,-.41,;3.34,1.13,;4.67,-1.18,;6,-.41,;6,1.13,;7.34,1.9,;8.68,1.13,;10.01,1.9,;10,3.44,;11.34,4.21,;11.33,5.75,;10,6.51,;8.67,5.74,;8.67,4.21,;7.34,3.44,;7.34,-1.18,;7.34,-2.72,;8.67,-.41,;10,-1.18,;10,-2.72,;11.34,-3.49,;11.34,-5.03,;12.67,-2.72,;11.34,-.41,;11.34,1.13,;12.67,-1.18,;14.01,-.41,;14.01,1.13,;12.67,1.9,;15.34,1.9,;15.34,-1.18,;14.57,-2.52,;16.67,-.41,;18.01,-1.18,;19.34,-.41,;20.67,-1.18,;20.67,-2.72,;19.34,-3.49,;18.01,-2.73,;16.11,-2.52,;15.34,-3.85,;16.1,-5.18,;15.33,-6.51,;13.79,-6.51,;13.02,-5.18,;13.79,-3.85,)|

BDBM50614604

CC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)c1ccc(C(O)=O)c(c1)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](C(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1 |r,wU:6.6,62.67,wD:15.15,2.1,(11.34,-3.11,;10,-2.34,;10,-.8,;8.67,-.03,;7.34,-.8,;7.34,-2.34,;6,-.03,;6,1.51,;7.34,2.28,;7.34,3.82,;8.67,4.59,;8.67,6.13,;4.67,-.8,;3.34,-.03,;3.34,1.51,;2,-.8,;2,-2.34,;3.34,-3.11,;4.67,-2.34,;6,-3.11,;6,-4.65,;4.67,-5.42,;3.34,-4.65,;.67,-.03,;-.66,-.8,;-.66,-2.34,;-2,-.03,;-3.33,-.8,;-4.67,-.03,;-6,-.8,;-7.33,-.03,;-8.67,-.8,;-10,-.03,;-10,1.51,;-11.33,-.8,;-11.33,-2.34,;-12.66,-3.11,;-14,-2.34,;-15.33,-3.11,;-15.33,-4.65,;-16.1,-1.78,;-14,-.8,;-12.66,-.03,;-15.33,-.03,;-16.67,-.8,;-16.67,-2.34,;-17.99,-3.11,;-19.34,-2.35,;-20.67,-3.12,;-19.34,-.8,;-18,-.03,;-18,1.51,;-16.66,2.28,;-16.66,3.82,;-15.33,4.59,;-15.33,6.13,;-14,3.82,;-13.99,2.28,;-15.33,1.51,;11.34,-.03,;11.34,1.51,;12.67,-.8,;14.01,-.03,;14.01,1.51,;12.67,2.28,;15.34,2.28,;15.34,-.8,;14.57,-2.13,;16.67,-.03,;18.01,-.8,;19.34,-.03,;20.67,-.8,;20.67,-2.34,;19.34,-3.11,;18.01,-2.34,;16.11,-2.13,;15.34,-3.47,;16.1,-4.8,;15.33,-6.13,;13.79,-6.13,;13.02,-4.8,;13.79,-3.46,)|

BDBM50614605

CC(C)[C@H](NC(=O)[C@H](CC1CC1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)c1ccc(C(O)=O)c(c1)-c1c2ccc(O)cc2oc2cc(=O)ccc12)P(=O)(Oc1ccccc1)Oc1ccccc1 |r,wU:3.2,15.16,wD:7.7,24.25,(12.67,2.28,;14.01,1.51,;15.34,2.28,;14.01,-.03,;12.67,-.8,;11.34,-.03,;11.34,1.51,;10,-.8,;10,-2.34,;11.34,-3.11,;12.11,-4.44,;12.88,-3.11,;8.67,-.03,;7.34,-.8,;7.34,-2.34,;6,-.03,;6,1.51,;7.34,2.28,;7.34,3.82,;8.67,4.59,;8.67,6.13,;4.67,-.8,;3.34,-.03,;3.34,1.51,;2,-.8,;2,-2.34,;3.34,-3.11,;4.67,-2.34,;6,-3.11,;6,-4.65,;4.67,-5.42,;3.34,-4.65,;.67,-.03,;-.66,-.8,;-.66,-2.34,;-2,-.03,;-3.33,-.8,;-4.67,-.03,;-6,-.8,;-7.33,-.03,;-8.67,-.8,;-10,-.03,;-10,1.51,;-11.33,-.8,;-11.33,-2.34,;-12.66,-3.11,;-14,-2.34,;-15.33,-3.11,;-15.33,-4.65,;-16.1,-1.78,;-14,-.8,;-12.66,-.03,;-15.33,-.03,;-16.67,-.8,;-16.67,-2.34,;-17.99,-3.11,;-19.34,-2.35,;-20.67,-3.12,;-19.34,-.8,;-18,-.03,;-18,1.51,;-16.66,2.28,;-16.66,3.82,;-15.33,4.59,;-15.33,6.13,;-14,3.82,;-13.99,2.28,;-15.33,1.51,;15.34,-.8,;14.57,-2.13,;16.67,-.03,;18.01,-.8,;19.34,-.03,;20.67,-.8,;20.67,-2.34,;19.34,-3.11,;18.01,-2.34,;16.11,-2.13,;15.34,-3.47,;16.1,-4.8,;15.33,-6.13,;13.79,-6.13,;13.02,-4.8,;13.79,-3.46,)|

BDBM50614606

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)CCCCCNC(=O)c1ccc(C(O)=O)c(c1)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](C(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1 |r,wU:68.74,8.8,wD:4.3,17.17,(11.34,-3.86,;11.34,-2.32,;12.67,-1.55,;10.01,-1.55,;10.01,-.01,;8.67,.76,;7.34,-.01,;7.34,-1.55,;6,.76,;6,2.3,;7.34,3.07,;7.34,4.61,;8.67,5.38,;8.67,6.92,;4.67,-.01,;3.34,.76,;3.34,2.3,;2,-.01,;2,-1.55,;3.34,-2.32,;4.67,-1.55,;6,-2.32,;6,-3.86,;7.32,-4.62,;7.33,-6.15,;6.01,-6.92,;4.68,-6.16,;4.67,-4.63,;3.34,-3.86,;.67,.76,;-.67,-.01,;-.67,-1.55,;-2,.76,;-3.33,-.01,;-4.67,.76,;-6,-.01,;-7.33,.76,;-8.67,-.01,;-10,.76,;-10,2.3,;-11.34,-.01,;-11.34,-1.55,;-12.66,-2.32,;-14,-1.55,;-15.33,-2.32,;-15.33,-3.86,;-16.1,-.99,;-14,-.01,;-12.66,.76,;-15.33,.76,;-16.67,-.01,;-16.67,-1.55,;-18,-2.32,;-19.34,-1.56,;-20.67,-2.33,;-19.34,-.01,;-18,.76,;-18,2.3,;-16.66,3.07,;-16.66,4.61,;-15.33,5.38,;-15.33,6.92,;-14,4.61,;-13.99,3.07,;-15.33,2.3,;11.34,.76,;11.34,2.3,;12.67,-.01,;14.01,.76,;14.01,2.3,;12.67,3.07,;15.34,3.07,;15.34,-.01,;14.57,-1.34,;16.67,.76,;18.01,-.01,;19.34,.76,;20.67,-.01,;20.67,-1.55,;19.35,-2.32,;18.01,-1.55,;16.11,-1.34,;15.34,-2.68,;16.1,-4.01,;15.33,-5.34,;13.79,-5.34,;13.03,-4.01,;13.79,-2.67,)|

BDBM50614607

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)c1ccc(C(O)=O)c(c1)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](C(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1 |r,wU:64.69,8.8,wD:4.3,17.17,(11.34,-4.65,;11.34,-3.11,;12.67,-2.34,;10,-2.34,;10,-.8,;8.67,-.03,;7.34,-.8,;7.34,-2.34,;6,-.03,;6,1.51,;7.34,2.28,;7.34,3.82,;8.67,4.59,;8.67,6.13,;4.67,-.8,;3.34,-.03,;3.34,1.51,;2,-.8,;2,-2.34,;3.34,-3.11,;4.67,-2.34,;6,-3.11,;6,-4.65,;4.67,-5.42,;3.34,-4.65,;.67,-.03,;-.66,-.8,;-.66,-2.34,;-2,-.03,;-3.33,-.8,;-4.67,-.03,;-6,-.8,;-7.33,-.03,;-8.67,-.8,;-10,-.03,;-10,1.51,;-11.33,-.8,;-11.33,-2.34,;-12.66,-3.11,;-14,-2.35,;-15.33,-3.12,;-15.33,-4.66,;-16.1,-1.78,;-14,-.8,;-12.66,-.03,;-15.33,-.03,;-16.67,-.8,;-16.67,-2.34,;-17.99,-3.11,;-19.34,-2.35,;-20.67,-3.12,;-19.34,-.8,;-18,-.03,;-18,1.51,;-16.66,2.28,;-16.66,3.82,;-15.33,4.58,;-15.33,6.13,;-14,3.82,;-13.99,2.28,;-15.33,1.51,;11.34,-.03,;11.34,1.51,;12.67,-.8,;14.01,-.03,;14.01,1.51,;12.67,2.28,;15.34,2.28,;15.34,-.8,;14.57,-2.14,;16.67,-.03,;18.01,-.8,;19.34,-.03,;20.67,-.8,;20.67,-2.34,;19.34,-3.11,;18.01,-2.35,;16.11,-2.14,;15.34,-3.47,;16.1,-4.8,;15.33,-6.13,;13.79,-6.13,;13.02,-4.8,;13.79,-3.47,)|

BDBM50614608

[#8-]-[#7+](=O)-c1ccccc1-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#7](-[#6](=S)-[#7](-[#6]-2=O)-c2ccccc2)-c2ccccc2)o1

BDBM50398077

c1cc(ccc1CCN)S(=O)(=O)F