methyl (2S)-2-[(1-cyclohexyl-2-pyridin-2-yl-benzimidazol-5-yl)carbonylamino]-3-(2-methyl-5-oxidanyl-1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-[(1-cyclohexyl-2-pyridin-2-yl-benzimidazol-5-yl)carbonylamino]-3-(2-methyl-5-oxidanyl-1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-[[1-cyclohexyl-2-(2-pyridyl)benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-2-methyl-1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[[1-cyclohexyl-2-(2-pyridinyl)-5-benzimidazolyl]-oxomethyl]amino]-3-(5-hydroxy-2-methyl-1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(1-cyclohexyl-2-pyridin-2-ylbenzimidazole-5-carbonyl)amino]-3-(5-hydroxy-2-methyl-1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[[1-cyclohexyl-2-(2-pyridyl)benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-2-methyl-1H-indol-3-yl)propionic acid methyl ester Formula: C32H33N5O4 MolecularWeight: 551.63552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)O)CC(C(=O)OC)NC(=O)C3=CC4=C(C=C3)N(C(=N4)C5=CC=CC=N5)C6CCCCC6

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)O)C[C@@H](C(=O)OC)NC(=O)C3=CC4=C(C=C3)N(C(=N4)C5=CC=CC=N5)C6CCCCC6

InChI

InChI=1S/C32H33N5O4/c1-19-23(24-17-22(38)12-13-25(24)34-19)18-28(32(40)41-2)36-31(39)20-11-14-29-27(16-20)35-30(26-10-6-7-15-33-26)37(29)21-8-4-3-5-9-21/h6-7,10-17,21,28,34,38H,3-5,8-9,18H2,1-2H3,(H,36,39)/t28-/m0/s1