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

Systemtic Name: methyl (2S)-2-[(1-cyclohexyl-2-pyridin-2-yl-benzimidazol-5-yl)carbonylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-[[1-cyclohexyl-2-(2-pyridyl)benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[[1-cyclohexyl-2-(2-pyridinyl)-5-benzimidazolyl]-oxomethyl]amino]-3-(5-hydroxy-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-1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[[1-cyclohexyl-2-(2-pyridyl)benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propionic acid methyl ester Formula: C31H31N5O4 MolecularWeight: 537.60894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=C1C=C(C=C2)O)NC(=O)C3=CC4=C(C=C3)N(C(=N4)C5=CC=CC=N5)C6CCCCC6

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=C1C=C(C=C2)O)NC(=O)C3=CC4=C(C=C3)N(C(=N4)C5=CC=CC=N5)C6CCCCC6

InChI

InChI=1S/C31H31N5O4/c1-40-31(39)27(16-20-18-33-24-12-11-22(37)17-23(20)24)35-30(38)19-10-13-28-26(15-19)34-29(25-9-5-6-14-32-25)36(28)21-7-3-2-4-8-21/h5-6,9-15,17-18,21,27,33,37H,2-4,7-8,16H2,1H3,(H,35,38)/t27-/m0/s1