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

Systemtic Name: (2S)-2-[(1-cyclohexyl-2-pyrazin-2-yl-benzimidazol-5-yl)carbonylamino]-2-(5-oxidanyl-1H-indol-3-yl)ethanoic acid Openeye Name: (2S)-2-[(1-cyclohexyl-2-pyrazin-2-yl-benzimidazole-5-carbonyl)amino]-2-(5-hydroxy-1H-indol-3-yl)acetic acid CAS Name: (2S)-2-[[[1-cyclohexyl-2-(2-pyrazinyl)-5-benzimidazolyl]-oxomethyl]amino]-2-(5-hydroxy-1H-indol-3-yl)acetic acid IUPAC Name: (2S)-2-[(1-cyclohexyl-2-pyrazin-2-ylbenzimidazole-5-carbonyl)amino]-2-(5-hydroxy-1H-indol-3-yl)acetic acid Traditional Name: (2S)-2-[(1-cyclohexyl-2-pyrazin-2-yl-benzimidazole-5-carbonyl)amino]-2-(5-hydroxy-1H-indol-3-yl)acetic acid Formula: C28H26N6O4 MolecularWeight: 510.54384

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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=CN=C6

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=CN=C6

InChI

InChI=1S/C28H26N6O4/c35-18-7-8-21-19(13-18)20(14-31-21)25(28(37)38)33-27(36)16-6-9-24-22(12-16)32-26(23-15-29-10-11-30-23)34(24)17-4-2-1-3-5-17/h6-15,17,25,31,35H,1-5H2,(H,33,36)(H,37,38)/t25-/m0/s1