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

Systemtic Name: (2S)-2-[(1-cyclohexyl-2-pyrazin-2-yl-benzimidazol-5-yl)carbonylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[(1-cyclohexyl-2-pyrazin-2-yl-benzimidazole-5-carbonyl)amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[[[1-cyclohexyl-2-(2-pyrazinyl)-5-benzimidazolyl]-oxomethyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[(1-cyclohexyl-2-pyrazin-2-ylbenzimidazole-5-carbonyl)amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[(1-cyclohexyl-2-pyrazin-2-yl-benzimidazole-5-carbonyl)amino]-3-(5-hydroxy-1H-indol-3-yl)propionic acid Formula: C29H28N6O4 MolecularWeight: 524.57042

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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=NC=CN=C6

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=NC=CN=C6

InChI

InChI=1S/C29H28N6O4/c36-20-7-8-22-21(14-20)18(15-32-22)13-24(29(38)39)34-28(37)17-6-9-26-23(12-17)33-27(25-16-30-10-11-31-25)35(26)19-4-2-1-3-5-19/h6-12,14-16,19,24,32,36H,1-5,13H2,(H,34,37)(H,38,39)/t24-/m0/s1