(2R,3S)-2-[(1-cyclohexyl-2-pyridin-2-yl-benzimidazol-5-yl)carbonylamino]-3-ethenyl-cyclopropane-1-carboxylic acid

Systemtic Name: (2R,3S)-2-[(1-cyclohexyl-2-pyridin-2-yl-benzimidazol-5-yl)carbonylamino]-3-ethenyl-cyclopropane-1-carboxylic acid Openeye Name: (2R,3S)-2-[[1-cyclohexyl-2-(2-pyridyl)benzimidazole-5-carbonyl]amino]-3-vinyl-cyclopropanecarboxylic acid CAS Name: (2R,3S)-2-[[[1-cyclohexyl-2-(2-pyridinyl)-5-benzimidazolyl]-oxomethyl]amino]-3-ethenyl-1-cyclopropanecarboxylic acid IUPAC Name: (2R,3S)-2-[(1-cyclohexyl-2-pyridin-2-ylbenzimidazole-5-carbonyl)amino]-3-ethenylcyclopropane-1-carboxylic acid Traditional Name: (2R,3S)-2-[[1-cyclohexyl-2-(2-pyridyl)benzimidazole-5-carbonyl]amino]-3-vinyl-cyclopropanecarboxylic acid Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1C(C1NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=CC=CC=N4)C5CCCCC5)C(=O)O

Isomeric SMILES

C=C[C@@H]1[C@H](C1C(=O)O)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=CC=CC=N4)C5CCCCC5

InChI

InChI=1S/C25H26N4O3/c1-2-17-21(25(31)32)22(17)28-24(30)15-11-12-20-19(14-15)27-23(18-10-6-7-13-26-18)29(20)16-8-4-3-5-9-16/h2,6-7,10-14,16-17,21-22H,1,3-5,8-9H2,(H,28,30)(H,31,32)/t17-,21?,22+/m0/s1