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

Systemtic Name: 3-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]piperidin-1-yl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]piperidine-1-carbonyl]amino]propanoic acid CAS Name: 3-[[[4-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]-1-piperidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]piperidine-1-carbonyl]amino]propanoic acid Traditional Name: 3-[[4-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]piperidine-1-carbonyl]amino]propionic acid Formula: C27H33N5O5 MolecularWeight: 507.58142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4CCN(CC4)C(=O)NCCC(=O)O)N=C2C5=COC=C5

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4CCN(CC4)C(=O)NCCC(=O)O)N=C2C5=COC=C5

InChI

InChI=1S/C27H33N5O5/c33-24(34)8-12-28-27(36)31-13-9-20(10-14-31)29-26(35)18-6-7-23-22(16-18)30-25(19-11-15-37-17-19)32(23)21-4-2-1-3-5-21/h6-7,11,15-17,20-21H,1-5,8-10,12-14H2,(H,28,36)(H,29,35)(H,33,34)