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

Systemtic Name: (2S)-2-[(1-cyclohexyl-2-isoquinolin-1-yl-benzimidazol-5-yl)carbonylamino]-2-(5-oxidanyl-1H-indol-3-yl)ethanoic acid Openeye Name: (2S)-2-[[1-cyclohexyl-2-(1-isoquinolyl)benzimidazole-5-carbonyl]amino]-2-(5-hydroxy-1H-indol-3-yl)acetic acid CAS Name: (2S)-2-[[[1-cyclohexyl-2-(1-isoquinolinyl)-5-benzimidazolyl]-oxomethyl]amino]-2-(5-hydroxy-1H-indol-3-yl)acetic acid IUPAC Name: (2S)-2-[(1-cyclohexyl-2-isoquinolin-1-ylbenzimidazole-5-carbonyl)amino]-2-(5-hydroxy-1H-indol-3-yl)acetic acid Traditional Name: (2S)-2-[[1-cyclohexyl-2-(1-isoquinolyl)benzimidazole-5-carbonyl]amino]-2-(5-hydroxy-1H-indol-3-yl)acetic acid Formula: C33H29N5O4 MolecularWeight: 559.61446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(C4=CNC5=C4C=C(C=C5)O)C(=O)O)N=C2C6=NC=CC7=CC=CC=C76

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)N[C@@H](C4=CNC5=C4C=C(C=C5)O)C(=O)O)N=C2C6=NC=CC7=CC=CC=C76

InChI

InChI=1S/C33H29N5O4/c39-22-11-12-26-24(17-22)25(18-35-26)30(33(41)42)37-32(40)20-10-13-28-27(16-20)36-31(38(28)21-7-2-1-3-8-21)29-23-9-5-4-6-19(23)14-15-34-29/h4-6,9-18,21,30,35,39H,1-3,7-8H2,(H,37,40)(H,41,42)/t30-/m0/s1