(2S)-2-[(1-cyclohexyl-2-pyridin-2-yl-benzimidazol-5-yl)carbonylamino]-3-oxidanyl-butanoic acid

Systemtic Name: (2S)-2-[(1-cyclohexyl-2-pyridin-2-yl-benzimidazol-5-yl)carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: (2S)-2-[[1-cyclohexyl-2-(2-pyridyl)benzimidazole-5-carbonyl]amino]-3-hydroxy-butanoic acid CAS Name: (2S)-2-[[[1-cyclohexyl-2-(2-pyridinyl)-5-benzimidazolyl]-oxomethyl]amino]-3-hydroxybutanoic acid IUPAC Name: (2S)-2-[(1-cyclohexyl-2-pyridin-2-ylbenzimidazole-5-carbonyl)amino]-3-hydroxybutanoic acid Traditional Name: (2S)-2-[[1-cyclohexyl-2-(2-pyridyl)benzimidazole-5-carbonyl]amino]-3-hydroxy-butyric acid Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=CC=N3)C4CCCCC4)O

Isomeric SMILES

CC([C@@H](C(=O)O)NC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=CC=N3)C4CCCCC4)O

InChI

InChI=1S/C23H26N4O4/c1-14(28)20(23(30)31)26-22(29)15-10-11-19-18(13-15)25-21(17-9-5-6-12-24-17)27(19)16-7-3-2-4-8-16/h5-6,9-14,16,20,28H,2-4,7-8H2,1H3,(H,26,29)(H,30,31)/t14?,20-/m0/s1