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

Systemtic Name: 3-[[3-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]cyclohexyl]carbamoylamino]propanoic acid Openeye Name: 3-[[3-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]cyclohexyl]carbamoylamino]propanoic acid CAS Name: 3-[[[[3-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]cyclohexyl]amino]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[3-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]cyclohexyl]carbamoylamino]propanoic acid Traditional Name: 3-[[3-[[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)NC4CCCC(C4)NC(=O)NCCC(=O)O)N=C2C5=COC=C5

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4CCCC(C4)NC(=O)NCCC(=O)O)N=C2C5=COC=C5

InChI

InChI=1S/C28H35N5O5/c34-25(35)11-13-29-28(37)31-21-6-4-5-20(16-21)30-27(36)18-9-10-24-23(15-18)32-26(19-12-14-38-17-19)33(24)22-7-2-1-3-8-22/h9-10,12,14-15,17,20-22H,1-8,11,13,16H2,(H,30,36)(H,34,35)(H2,29,31,37)