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

Systemtic Name: 3-(4-aminophenyl)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-(4-aminophenyl)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-(4-aminophenyl)-2-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-aminophenyl)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-(4-aminophenyl)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C27H28N4O4 MolecularWeight: 472.53562

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

InChI

InChI=1S/C27H28N4O4/c28-20-9-6-17(7-10-20)14-23(27(33)34)30-26(32)18-8-11-24-22(15-18)29-25(19-12-13-35-16-19)31(24)21-4-2-1-3-5-21/h6-13,15-16,21,23H,1-5,14,28H2,(H,30,32)(H,33,34)