2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]-3-(4-formamidophenyl)propanoic acid

Systemtic Name: 2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]-3-(4-formamidophenyl)propanoic acid Openeye Name: 2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]-3-(4-formamidophenyl)propanoic acid CAS Name: 2-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]-3-(4-formamidophenyl)propanoic acid IUPAC Name: 2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]-3-(4-formamidophenyl)propanoic acid Traditional Name: 2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]-3-(4-formamidophenyl)propionic acid Formula: C28H28N4O5 MolecularWeight: 500.54572

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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)NC=O)C(=O)O)N=C2C5=COC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H28N4O5/c33-17-29-21-9-6-18(7-10-21)14-24(28(35)36)31-27(34)19-8-11-25-23(15-19)30-26(20-12-13-37-16-20)32(25)22-4-2-1-3-5-22/h6-13,15-17,22,24H,1-5,14H2,(H,29,33)(H,31,34)(H,35,36)