(2S)-2-[(1-cyclohexyl-2-thiophen-2-yl-benzimidazol-5-yl)carbonylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid

Systemtic Name: (2S)-2-[(1-cyclohexyl-2-thiophen-2-yl-benzimidazol-5-yl)carbonylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[[1-cyclohexyl-2-(2-thienyl)benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[[(1-cyclohexyl-2-thiophen-2-yl-5-benzimidazolyl)-oxomethyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[(1-cyclohexyl-2-thiophen-2-ylbenzimidazole-5-carbonyl)amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[[1-cyclohexyl-2-(2-thienyl)benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propionic acid Formula: C29H28N4O4S MolecularWeight: 528.62202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(CC4=CNC5=C4C=C(C=C5)O)C(=O)O)N=C2C6=CC=CS6

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)N[C@@H](CC4=CNC5=C4C=C(C=C5)O)C(=O)O)N=C2C6=CC=CS6

InChI

InChI=1S/C29H28N4O4S/c34-20-9-10-22-21(15-20)18(16-30-22)14-24(29(36)37)32-28(35)17-8-11-25-23(13-17)31-27(26-7-4-12-38-26)33(25)19-5-2-1-3-6-19/h4,7-13,15-16,19,24,30,34H,1-3,5-6,14H2,(H,32,35)(H,36,37)/t24-/m0/s1