SMILES for Dipeptidyl peptidase 3

53 SMILES Strings for Dipeptidyl peptidase 3

Compound Name

SMILES String

BDBM85260

NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1c[nH]cn1

BDBM85261

C1C[NH+]=C(N1)c1ccc2nc([nH]c2c1)-c1c[nH]cn1 |c:2|

BDBM85262

C1C[NH+]=C(N1)c1ccc2nc(C=Cc3ccccc3)[nH]c2c1 |w:11.11,c:2|

BDBM85263

C(=C/c1ccccc1)\c1nc2ccccc2[nH]1

BDBM85264

C1C[NH+]=C(N1)c1ccc2nc([nH]c2c1)C1C(C(C1c1ccccc1)c1nc2ccc(cc2[nH]1)C1=[NH+]CCN1)c1ccccc1 |c:2,t:40,(19.08,-1.84,;19.4,-3.35,;18.07,-4.12,;16.93,-3.09,;17.55,-1.68,;15.42,-3.41,;14.94,-4.87,;13.44,-5.19,;12.41,-4.05,;10.87,-4.05,;10.39,-2.59,;11.64,-1.68,;12.88,-2.59,;14.39,-2.27,;8.85,-2.58,;7.76,-1.5,;6.67,-2.58,;7.76,-3.68,;7.75,-5.22,;6.42,-5.99,;6.42,-7.53,;7.75,-8.3,;9.09,-7.53,;9.09,-5.99,;5.13,-2.58,;4.23,-1.34,;2.76,-1.81,;1.43,-1.04,;.1,-1.81,;.1,-3.35,;1.43,-4.12,;2.76,-3.35,;4.23,-3.83,;-1.24,-4.12,;-2.68,-3.57,;-3.64,-4.77,;-2.81,-6.06,;-1.32,-5.66,;7.76,.04,;6.43,.81,;6.43,2.35,;7.76,3.12,;9.1,2.35,;9.1,.81,)|

BDBM85265

NC(=[NH2+])c1ccc2nc([nH]c2c1)C1C(C(C1c1ccccc1)c1nc2ccc(cc2[nH]1)C(N)=[NH2+])c1ccccc1 |(17.55,-1.68,;16.93,-3.09,;18.07,-4.12,;15.42,-3.41,;14.94,-4.87,;13.44,-5.19,;12.41,-4.05,;10.87,-4.05,;10.39,-2.59,;11.64,-1.68,;12.88,-2.59,;14.39,-2.27,;8.85,-2.58,;7.76,-1.5,;6.67,-2.58,;7.76,-3.68,;7.75,-5.22,;6.42,-5.99,;6.42,-7.53,;7.75,-8.3,;9.09,-7.53,;9.09,-5.99,;5.13,-2.58,;4.23,-1.34,;2.76,-1.81,;1.43,-1.04,;.1,-1.81,;.1,-3.35,;1.43,-4.12,;2.76,-3.35,;4.23,-3.83,;-1.24,-4.12,;-1.32,-5.66,;-2.68,-3.57,;7.76,.04,;6.43,.81,;6.43,2.35,;7.76,3.12,;9.1,2.35,;9.1,.81,)|

BDBM85266

CC(C)NC(=[NH2+])c1ccc2nc([nH]c2c1)C1C(C(C1c1ccccc1)c1nc2ccc(cc2[nH]1)C(N)=[NH+]C(C)C)c1ccccc1 |w:36.42,(-.11,-8.04,;-.03,-6.5,;1.35,-5.8,;-1.32,-5.66,;-1.24,-4.12,;-2.68,-3.57,;.1,-3.35,;.1,-1.81,;1.43,-1.04,;2.76,-1.81,;4.23,-1.34,;5.13,-2.58,;4.23,-3.83,;2.76,-3.35,;1.43,-4.12,;6.67,-2.58,;7.76,-1.5,;8.85,-2.58,;7.76,-3.68,;7.75,-5.22,;6.42,-5.99,;6.42,-7.53,;7.75,-8.3,;9.09,-7.53,;9.09,-5.99,;10.39,-2.59,;10.87,-4.05,;12.41,-4.05,;13.44,-5.19,;14.94,-4.87,;15.42,-3.41,;14.39,-2.27,;12.88,-2.59,;11.64,-1.68,;16.93,-3.09,;18.07,-4.12,;17.55,-1.68,;16.65,-.44,;17.27,.97,;15.12,-.6,;7.76,.04,;6.43,.81,;6.43,2.35,;7.76,3.12,;9.1,2.35,;9.1,.81,)|

BDBM85267

Clc1ccccc1C1C(C(C1c1nc2ccc(cc2[nH]1)C1=[NH+]CCN1)c1ccccc1Cl)c1nc2ccc(cc2[nH]1)C1=[NH+]CCN1 |t:24,49,(10.42,-5.22,;9.09,-5.99,;9.09,-7.53,;7.75,-8.3,;6.42,-7.53,;6.42,-5.99,;7.75,-5.22,;7.76,-3.68,;8.85,-2.58,;7.76,-1.5,;6.67,-2.58,;5.13,-2.58,;4.23,-1.34,;2.76,-1.81,;1.43,-1.04,;.1,-1.81,;.1,-3.35,;1.43,-4.12,;2.76,-3.35,;4.23,-3.83,;-1.24,-4.12,;-2.68,-3.57,;-3.61,-4.91,;-2.82,-6.05,;-1.32,-5.66,;7.76,.04,;9.1,.81,;9.1,2.35,;7.76,3.12,;6.43,2.35,;6.43,.81,;5.34,-.27,;10.39,-2.59,;10.87,-4.05,;12.41,-4.05,;13.44,-5.19,;14.94,-4.87,;15.42,-3.41,;14.39,-2.27,;12.88,-2.59,;11.64,-1.68,;16.93,-3.09,;18.07,-4.12,;19.21,-3.29,;19.04,-2.08,;17.55,-1.68,)|

BDBM85268

NC(=[NH2+])c1ccc2nc([nH]c2c1)C1C(C(C1c1ccccc1Cl)c1nc2ccc(cc2[nH]1)C(N)=[NH2+])c1ccccc1Cl |(17.55,-1.68,;16.93,-3.09,;18.07,-4.12,;15.42,-3.41,;14.94,-4.87,;13.44,-5.19,;12.41,-4.05,;10.87,-4.05,;10.39,-2.59,;11.64,-1.68,;12.88,-2.59,;14.39,-2.27,;8.85,-2.58,;7.76,-3.68,;6.67,-2.58,;7.76,-1.5,;7.76,.04,;9.1,.81,;9.1,2.35,;7.76,3.12,;6.43,2.35,;6.43,.81,;5.34,-.27,;5.13,-2.58,;4.23,-1.34,;2.76,-1.81,;1.43,-1.04,;.1,-1.81,;.1,-3.35,;1.43,-4.12,;2.76,-3.35,;4.23,-3.83,;-1.24,-4.12,;-1.32,-5.66,;-2.68,-3.57,;7.75,-5.22,;6.42,-5.99,;6.42,-7.53,;7.75,-8.3,;9.09,-7.53,;9.09,-5.99,;10.42,-5.22,)|

BDBM85269

CC(C)NC(=[NH2+])c1ccc2nc([nH]c2c1)C1C(C(C1c1ccccc1Cl)c1nc2ccc(cc2[nH]1)C(N)=[NH+]C(C)C)c1ccccc1Cl |w:37.43,(-.11,-8.04,;-.03,-6.5,;1.35,-5.8,;-1.32,-5.66,;-1.24,-4.12,;-2.68,-3.57,;.1,-3.35,;.1,-1.81,;1.43,-1.04,;2.76,-1.81,;4.23,-1.34,;5.13,-2.58,;4.23,-3.83,;2.76,-3.35,;1.43,-4.12,;6.67,-2.58,;7.76,-3.68,;8.85,-2.58,;7.76,-1.5,;7.76,.04,;9.1,.81,;9.1,2.35,;7.76,3.12,;6.43,2.35,;6.43,.81,;5.34,-.27,;10.39,-2.59,;10.87,-4.05,;12.41,-4.05,;13.44,-5.19,;14.94,-4.87,;15.42,-3.41,;14.39,-2.27,;12.88,-2.59,;11.64,-1.68,;16.93,-3.09,;18.07,-4.12,;17.55,-1.68,;16.65,-.44,;17.27,.97,;15.12,-.6,;7.75,-5.22,;6.42,-5.99,;6.42,-7.53,;7.75,-8.3,;9.09,-7.53,;9.09,-5.99,;10.42,-5.22,)|

BDBM85270

C1C[NH+]=C(N1)c1ccc2nc([nH]c2c1)C1C(C(C1c1ccco1)c1nc2ccc(cc2[nH]1)C1=[NH+]CCN1)c1ccco1 |c:2,t:39,(19.09,-1.68,;19.48,-3.33,;18.07,-4.12,;16.93,-3.09,;17.55,-1.68,;15.42,-3.41,;14.94,-4.87,;13.44,-5.19,;12.41,-4.05,;10.87,-4.05,;10.39,-2.59,;11.64,-1.68,;12.88,-2.59,;14.39,-2.27,;8.85,-2.58,;7.76,-1.5,;6.67,-2.58,;7.76,-3.68,;7.75,-5.22,;6.51,-6.12,;6.98,-7.59,;8.52,-7.59,;9,-6.12,;5.13,-2.58,;4.23,-1.34,;2.76,-1.81,;1.43,-1.04,;.1,-1.81,;.1,-3.35,;1.43,-4.12,;2.76,-3.35,;4.23,-3.83,;-1.24,-4.12,;-2.68,-3.57,;-3.76,-4.83,;-2.82,-6.27,;-1.32,-5.66,;7.76,.04,;8.91,1.07,;8.28,2.48,;6.75,2.32,;6.43,.81,)|

BDBM85271

C1C[NH+]=C(N1)c1ccc2nc([nH]c2c1)C1C(C(C1c1cccs1)c1nc2ccc(cc2[nH]1)C1=[NH+]CCN1)c1cccs1 |c:2,t:39,(19.09,-1.68,;19.48,-3.33,;18.07,-4.12,;16.93,-3.09,;17.55,-1.68,;15.42,-3.41,;14.94,-4.87,;13.44,-5.19,;12.41,-4.05,;10.87,-4.05,;10.39,-2.59,;11.64,-1.68,;12.88,-2.59,;14.39,-2.27,;8.85,-2.58,;7.76,-1.5,;6.67,-2.58,;7.76,-3.68,;7.75,-5.22,;6.51,-6.12,;6.98,-7.59,;8.52,-7.59,;9,-6.12,;5.13,-2.58,;4.23,-1.34,;2.76,-1.81,;1.43,-1.04,;.1,-1.81,;.1,-3.35,;1.43,-4.12,;2.76,-3.35,;4.23,-3.83,;-1.24,-4.12,;-2.68,-3.57,;-3.76,-4.83,;-2.82,-6.27,;-1.32,-5.66,;7.76,.04,;8.91,1.07,;8.28,2.48,;6.75,2.32,;6.43,.81,)|

BDBM7459

c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O

BDBM50049391

c1ccc(cc1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O

BDBM7457

c1cc(c(cc1C2=C(C(=O)c3ccc(cc3O2)O)O)O)O

BDBM7462

c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O

BDBM19459

c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O

BDBM7458

c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O

BDBM50187657

Oc1ccc2oc(-c3ccccc3)c(O)c(=O)c2c1

BDBM7460

c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O

BDBM50081950

Oc1ccc2oc(cc(=O)c2c1)-c1ccccc1

BDBM26658

c1cc(c(cc1O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O

BDBM26660

c1ccc(cc1)C2=C(C(=O)c3ccc(cc3O2)O)O

BDBM7461

c1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O

BDBM50187668

Oc1c(oc2ccccc2c1=O)-c1ccccc1

BDBM50028962

c1ccc(cc1)C2=CC(=O)c3ccccc3O2

BDBM223138

O=C1C[C@H](Oc2ccccc12)c1ccccc1 |r|

BDBM50187263

OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N |TLB:6:1:9:7.5.4,0:1:9:7.5.4,4:3:10:7.5.6,4:5:10:2.9.3,THB:6:5:10.1.2:9|

BDBM50187275

COCC1(CCCC1)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N

BDBM50187268

O=C(CNC12CC3CC(CC(C3)C1)C2)N1[C@@H](CC[C@@H]1C#N)C#N |TLB:3:4:11:7.8.9,13:4:11:7.8.9,THB:13:8:5.4.12:11,9:8:5:12.10.11,9:10:5:7.13.8|

BDBM50187261

CCCCOCC1(CCCC1)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N

BDBM50187266

C1CCC(C1)(CO)NCC(=O)N2[C@H](CC[C@H]2C#N)C#N

BDBM50187258

O=C(CNC12CC3CC1CC(C2)C3)N1[C@@H](CC[C@@H]1C#N)C#N |TLB:7:6:8.9:11,THB:9:8:5:10.11.12,9:10:5:7.8,7:8:11:6.5.12|

BDBM50187283

CCOCC1(CCCC1)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N

BDBM50249479

FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1 |r|

BDBM50338518

N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r|

BDBM50221073

COc1ccc(cn1)-c1cc(ncn1)N1C[C@H](N)[C@H](C1)c1cc(F)c(F)cc1F

BDBM50056999

CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-]

BDBM50174201

[O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl

BDBM25753

CC(C)NCC(COc1ccc(cc1)CC(=O)N)O

BDBM25758

CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O

BDBM22369

CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3

BDBM26197

CC(=O)Nc1ccc(cc1)O

BDBM25756

COCCc1ccc(OCC(O)CNC(C)C)cc1

BDBM50595281

CC(C)[C@H](N)C(=O)N[C@@H](C(C)C)C(\F)=N\[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|

BDBM50595282

CC(C)[C@H](NC(=O)[C@@H](N)C(C)(C)C)C(\F)=C\[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|

BDBM50595283

CC(C)[C@H](N)C(=O)N[C@@H](C(C)C)C(\F)=C\[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|

BDBM50595284

CC(C)[C@H](NC(=O)[C@@H](N)C(C)(C)C)C(\F)=C\[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|

BDBM50595285

Cc1cc(=O)c2c3c(c(O)cc2c1=O)c1c(O)cccc1c3=O

BDBM50595286

CC1C(O)C(O)c2c3C(=O)c4cccc(O)c4-c3c(O)cc2C1=O

BDBM50595287

CC(C)[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|

BDBM50595288

CC(C)[C@H](N)C(=O)N[C@@H](C(C)C)[C@H](O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|

BDBM50652793

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12