3-[[4-[[[3-cyano-5-(trifluoromethyl)phenyl]carbamoyl-(4-cyclohexylcyclohexyl)amino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[[3-cyano-5-(trifluoromethyl)phenyl]carbamoyl-(4-cyclohexylcyclohexyl)amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[[3-cyano-5-(trifluoromethyl)phenyl]carbamoyl-(4-cyclohexylcyclohexyl)amino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[[[3-cyano-5-(trifluoromethyl)anilino]-oxomethyl]-(4-cyclohexylcyclohexyl)amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[[3-cyano-5-(trifluoromethyl)phenyl]carbamoyl-(4-cyclohexylcyclohexyl)amino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[[3-cyano-5-(trifluoromethyl)phenyl]carbamoyl-(4-cyclohexylcyclohexyl)amino]methyl]benzoyl]amino]propionic acid Formula: C32H37F3N4O4 MolecularWeight: 598.65579

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CCC(CC2)N(CC3=CC=C(C=C3)C(=O)NCCC(=O)O)C(=O)NC4=CC(=CC(=C4)C(F)(F)F)C#N

Isomeric SMILES

C1CCC(CC1)C2CCC(CC2)N(CC3=CC=C(C=C3)C(=O)NCCC(=O)O)C(=O)NC4=CC(=CC(=C4)C(F)(F)F)C#N

InChI

InChI=1S/C32H37F3N4O4/c33-32(34,35)26-16-22(19-36)17-27(18-26)38-31(43)39(28-12-10-24(11-13-28)23-4-2-1-3-5-23)20-21-6-8-25(9-7-21)30(42)37-15-14-29(40)41/h6-9,16-18,23-24,28H,1-5,10-15,20H2,(H,37,42)(H,38,43)(H,40,41)