(2S)-2-[(1-cyclohexyl-2-pyridin-2-yl-benzimidazol-5-yl)carbonylamino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: (2S)-2-[(1-cyclohexyl-2-pyridin-2-yl-benzimidazol-5-yl)carbonylamino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: (2S)-2-[[1-cyclohexyl-2-(2-pyridyl)benzimidazole-5-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: (2S)-2-[[[1-cyclohexyl-2-(2-pyridinyl)-5-benzimidazolyl]-oxomethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: (2S)-2-[(1-cyclohexyl-2-pyridin-2-ylbenzimidazole-5-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: (2S)-2-[[1-cyclohexyl-2-(2-pyridyl)benzimidazole-5-carbonyl]amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C25H26N6O3 MolecularWeight: 458.51234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(CC4=CN=CN4)C(=O)O)N=C2C5=CC=CC=N5

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)N[C@@H](CC4=CN=CN4)C(=O)O)N=C2C5=CC=CC=N5

InChI

InChI=1S/C25H26N6O3/c32-24(30-21(25(33)34)13-17-14-26-15-28-17)16-9-10-22-20(12-16)29-23(19-8-4-5-11-27-19)31(22)18-6-2-1-3-7-18/h4-5,8-12,14-15,18,21H,1-3,6-7,13H2,(H,26,28)(H,30,32)(H,33,34)/t21-/m0/s1