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

Systemtic Name: 3-[3-[[1-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]cyclopentyl]carbonylamino]phenyl]propanoic acid Openeye Name: 3-[3-[[1-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]phenyl]propanoic acid CAS Name: 3-[3-[[[1-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]cyclopentyl]-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: 3-[3-[[1-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]phenyl]propanoic acid Traditional Name: 3-[3-[[1-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]phenyl]propionic acid Formula: C33H36N4O5 MolecularWeight: 568.66274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4(CCCC4)C(=O)NC5=CC=CC(=C5)CCC(=O)O)N=C2C6=COC=C6

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4(CCCC4)C(=O)NC5=CC=CC(=C5)CCC(=O)O)N=C2C6=COC=C6

InChI

InChI=1S/C33H36N4O5/c38-29(39)14-11-22-7-6-8-25(19-22)34-32(41)33(16-4-5-17-33)36-31(40)23-12-13-28-27(20-23)35-30(24-15-18-42-21-24)37(28)26-9-2-1-3-10-26/h6-8,12-13,15,18-21,26H,1-5,9-11,14,16-17H2,(H,34,41)(H,36,40)(H,38,39)