4-[(2S)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]-3-oxidanyl-3-oxidanylidene-propyl]benzoic acid

Systemtic Name: 4-[(2S)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]-3-oxidanyl-3-oxidanylidene-propyl]benzoic acid Openeye Name: 4-[(2S)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]-3-hydroxy-3-oxo-propyl]benzoic acid CAS Name: 4-[(2S)-2-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]-3-hydroxy-3-oxopropyl]benzoic acid IUPAC Name: 4-[(2S)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]-3-hydroxy-3-oxopropyl]benzoic acid Traditional Name: 4-[(2S)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]-3-hydroxy-3-keto-propyl]benzoic acid Formula: C28H27N3O6 MolecularWeight: 501.53048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(CC4=CC=C(C=C4)C(=O)O)C(=O)O)N=C2C5=COC=C5

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)N[C@@H](CC4=CC=C(C=C4)C(=O)O)C(=O)O)N=C2C5=COC=C5

InChI

InChI=1S/C28H27N3O6/c32-26(30-23(28(35)36)14-17-6-8-18(9-7-17)27(33)34)19-10-11-24-22(15-19)29-25(20-12-13-37-16-20)31(24)21-4-2-1-3-5-21/h6-13,15-16,21,23H,1-5,14H2,(H,30,32)(H,33,34)(H,35,36)/t23-/m0/s1