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

Systemtic Name: 3-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]cyclohexyl]carbamoylamino]propanoic acid Openeye Name: 3-[[4-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]cyclohexyl]carbamoylamino]propanoic acid CAS Name: 3-[[[[4-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]cyclohexyl]amino]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]cyclohexyl]carbamoylamino]propanoic acid Traditional Name: 3-[[4-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]cyclohexyl]carbamoylamino]propionic acid Formula: C28H35N5O5 MolecularWeight: 521.608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)NC(=O)NCCC(=O)O)N=C2C5=COC=C5

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)NC(=O)NCCC(=O)O)N=C2C5=COC=C5

InChI

InChI=1S/C28H35N5O5/c34-25(35)12-14-29-28(37)31-21-9-7-20(8-10-21)30-27(36)18-6-11-24-23(16-18)32-26(19-13-15-38-17-19)33(24)22-4-2-1-3-5-22/h6,11,13,15-17,20-22H,1-5,7-10,12,14H2,(H,30,36)(H,34,35)(H2,29,31,37)