3-cyclohexyl-3-[3-[[5-[(phenylmethyl)carbamoylamino]furan-2-yl]carbonylamino]propanoylamino]propanoic acid

Systemtic Name: 3-cyclohexyl-3-[3-[[5-[(phenylmethyl)carbamoylamino]furan-2-yl]carbonylamino]propanoylamino]propanoic acid Openeye Name: 3-[3-[[5-(benzylcarbamoylamino)furan-2-carbonyl]amino]propanoylamino]-3-cyclohexyl-propanoic acid CAS Name: 3-cyclohexyl-3-[[1-oxo-3-[[oxo-[5-[[oxo-[(phenylmethyl)amino]methyl]amino]-2-furanyl]methyl]amino]propyl]amino]propanoic acid IUPAC Name: 3-[3-[[5-(benzylcarbamoylamino)furan-2-carbonyl]amino]propanoylamino]-3-cyclohexylpropanoic acid Traditional Name: 3-[3-[[5-(benzylcarbamoylamino)-2-furoyl]amino]propanoylamino]-3-cyclohexyl-propionic acid Formula: C25H32N4O6 MolecularWeight: 484.54478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)O)NC(=O)CCNC(=O)C2=CC=C(O2)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)NC(=O)CCNC(=O)C2=CC=C(O2)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H32N4O6/c30-21(28-19(15-23(31)32)18-9-5-2-6-10-18)13-14-26-24(33)20-11-12-22(35-20)29-25(34)27-16-17-7-3-1-4-8-17/h1,3-4,7-8,11-12,18-19H,2,5-6,9-10,13-16H2,(H,26,33)(H,28,30)(H,31,32)(H2,27,29,34)