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

Systemtic Name: (2S)-2-[(1-cyclohexyl-2-pyridin-2-yl-benzimidazol-5-yl)carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-2-[[1-cyclohexyl-2-(2-pyridyl)benzimidazole-5-carbonyl]amino]-3-hydroxy-propanoic acid CAS Name: (2S)-2-[[[1-cyclohexyl-2-(2-pyridinyl)-5-benzimidazolyl]-oxomethyl]amino]-3-hydroxypropanoic acid IUPAC Name: (2S)-2-[(1-cyclohexyl-2-pyridin-2-ylbenzimidazole-5-carbonyl)amino]-3-hydroxypropanoic acid Traditional Name: (2S)-2-[[1-cyclohexyl-2-(2-pyridyl)benzimidazole-5-carbonyl]amino]-3-hydroxy-propionic acid Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(CO)C(=O)O)N=C2C4=CC=CC=N4

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)N[C@@H](CO)C(=O)O)N=C2C4=CC=CC=N4

InChI

InChI=1S/C22H24N4O4/c27-13-18(22(29)30)25-21(28)14-9-10-19-17(12-14)24-20(16-8-4-5-11-23-16)26(19)15-6-2-1-3-7-15/h4-5,8-12,15,18,27H,1-3,6-7,13H2,(H,25,28)(H,29,30)/t18-/m0/s1