Compound Name

SMILES String

C\C(=N/NC(N)=N)c1sc(nc1C)-c1ccc(cc1)C#CC1CC1

[H][C@]1(NC(=O)[C@@H](CCCN)NC(=O)[C@H](CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](Cc2ccccc2)NC1=O)NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CSC(=N1)[C@@H](N)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC |r,c:88|

CC(=CCC/C(=C/CNCCNC1C2CC3CC(C2)CC1C3)/C)C

CC(C)=CCC\C(C)=C\C(C)(C)NCCNC1C2CC3CC(C2)CC1C3 |TLB:15:16:18:21.20.22,THB:23:24:18:21.20.22,23:21:18:25.24.16,16:17:25.24.23:20,16:24:20:17.18.22,(8.91,1.38,;8.61,-.13,;9.77,-1.14,;7.15,-.63,;5.99,.39,;4.54,-.11,;3.38,.9,;3.67,2.41,;1.92,.4,;.76,1.42,;1.87,2.48,;-.21,2.62,;-.52,.56,;-1.9,1.24,;-3.18,.38,;-4.56,1.06,;-5.84,.2,;-5.84,-1.34,;-6.86,-2.62,;-8.28,-2.05,;-9.77,-2.47,;-8.58,-1.19,;-7.25,-1.69,;-8.58,.29,;-7.25,.77,;-8.28,-.46,)|

CC(C)=CCC\C(C)=C\CCNCCNC1C2CC3CC(C2)CC1C3 |TLB:14:15:17:20.19.21,THB:22:23:17:20.19.21,22:20:17:24.23.15,15:16:24.23.22:19,15:23:19:16.17.21,(10.59,2.38,;9.31,1.52,;9.41,-.02,;7.93,2.2,;6.65,1.34,;5.27,2.02,;3.99,1.16,;4.09,-.38,;2.6,1.84,;1.33,.98,;-.06,1.66,;-1.34,.8,;-2.72,1.47,;-4,.62,;-5.38,1.29,;-6.66,.44,;-6.66,-1.1,;-7.68,-2.38,;-9.1,-1.81,;-10.59,-2.23,;-9.4,-.96,;-8.07,-1.45,;-9.4,.53,;-8.07,1.01,;-9.1,-.23,)|

CC(C)=CCC\C(C)=C\CCNCCNC1C2CC3CC1CC(F)(C3)C2 |TLB:15:16:24:20.21.19,14:15:21:18.24.19,THB:17:16:21:18.24.19,17:18:21:25.16.15,15:20:25.16.17:24,(10.56,2.61,;9.29,1.76,;9.39,.22,;7.9,2.43,;6.62,1.57,;5.24,2.25,;3.96,1.39,;4.07,-.14,;2.58,2.07,;1.3,1.21,;-.08,1.89,;-1.36,1.03,;-2.74,1.71,;-4.02,.85,;-5.4,1.53,;-6.68,.67,;-8.07,1.24,;-9.39,.76,;-9.39,-.7,;-8.07,-1.19,;-6.68,-.85,;-7.69,-2.11,;-9.09,-1.55,;-8,-2.61,;-10.56,-1.96,;-9.09,.02,)|

CCCCCCCCCCCNCCNC1C2CC3CC(C2)CC1C3 |TLB:14:15:17:20.19.21,THB:22:23:17:20.19.21,22:20:17:24.23.15,15:16:24.23.22:19,15:23:19:16.17.21,(11.92,2.47,;10.64,1.61,;9.26,2.29,;7.98,1.43,;6.6,2.11,;5.32,1.25,;3.94,1.93,;2.66,1.07,;1.27,1.75,;-0,.89,;-1.39,1.57,;-2.67,.71,;-4.05,1.38,;-5.33,.53,;-6.71,1.2,;-7.99,.35,;-7.99,-1.19,;-9.01,-2.47,;-10.43,-1.9,;-11.92,-2.32,;-10.73,-1.05,;-9.4,-1.54,;-10.73,.44,;-9.4,.92,;-10.43,-.32,)|

CC(C)CCCC(C)CCNCCNC1C2CC3CC(C2)CC1C3 |TLB:13:14:16:20.18.19,THB:18:17:14:20.19.21,18:19:16.17.23:14,21:19:16:23.22.14,21:22:16:20.18.19,(13.11,-3.33,;14.44,-2.56,;14.44,-1.02,;15.78,-3.33,;17.11,-2.56,;18.44,-3.33,;18.45,-4.86,;17.11,-5.64,;19.78,-5.63,;19.78,-7.17,;21.12,-7.94,;22.45,-7.17,;23.79,-7.94,;23.79,-9.48,;25.12,-10.24,;25.13,-11.73,;23.93,-13,;25.44,-12.58,;26.84,-13.15,;27.85,-11.87,;26.46,-12.22,;27.87,-10.34,;26.47,-9.76,;25.43,-11,)|

CC(C)=CCC\C(C)=C\CNCCOC1C2CC3CC(C2)CC1C3 |TLB:20:19:23:16.15.14,20:15:18.19.21:23,THB:14:15:18:21.22.23,14:22:18:16.20.15,13:14:18.19.21:23,(49.64,-.96,;48.27,-.27,;48.17,1.28,;46.98,-1.12,;45.6,-.43,;44.32,-1.28,;42.94,-.59,;42.85,.95,;41.66,-1.44,;40.28,-.75,;38.99,-1.6,;37.62,-.91,;36.33,-1.76,;34.95,-1.07,;33.67,-1.92,;33.65,-3.45,;32.25,-3.8,;30.93,-3.3,;29.74,-4.58,;31.23,-4.16,;32.64,-4.73,;31.23,-2.58,;32.26,-1.34,;30.93,-1.82,)|

CC(C)=CCC\C(C)=C\COCCNC1C2CC3CC(C2)CC1C3 |TLB:20:19:23:16.15.14,20:15:18.19.21:23,THB:14:15:18:21.22.23,14:22:18:16.20.15,13:14:18.19.21:23,(14.35,-9.79,;12.97,-9.1,;12.88,-7.56,;11.69,-9.95,;10.31,-9.26,;9.02,-10.11,;7.65,-9.42,;7.55,-7.88,;6.36,-10.27,;4.98,-9.58,;3.7,-10.43,;2.32,-9.74,;1.04,-10.59,;-.36,-9.9,;-1.64,-10.75,;-1.65,-12.28,;-3.06,-12.62,;-4.36,-12.13,;-5.56,-13.41,;-4.07,-12.99,;-2.67,-13.55,;-4.08,-11.41,;-3.04,-10.17,;-4.37,-10.65,)|