3-[[4-[[(4-phenylcyclohexyl)-[[4-(trifluoromethyloxy)phenyl]carbonylamino]amino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[(4-phenylcyclohexyl)-[[4-(trifluoromethyloxy)phenyl]carbonylamino]amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[(4-phenylcyclohexyl)-[[4-(trifluoromethoxy)benzoyl]amino]amino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[oxo-[4-[[[[oxo-[4-(trifluoromethoxy)phenyl]methyl]amino]-(4-phenylcyclohexyl)amino]methyl]phenyl]methyl]amino]propanoic acid IUPAC Name: 3-[[4-[[(4-phenylcyclohexyl)-[[4-(trifluoromethoxy)benzoyl]amino]amino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[(4-phenylcyclohexyl)-[[4-(trifluoromethoxy)benzoyl]amino]amino]methyl]benzoyl]amino]propionic acid Formula: C31H32F3N3O5 MolecularWeight: 583.59809

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=CC=C2)N(CC3=CC=C(C=C3)C(=O)NCCC(=O)O)NC(=O)C4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

C1CC(CCC1C2=CC=CC=C2)N(CC3=CC=C(C=C3)C(=O)NCCC(=O)O)NC(=O)C4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C31H32F3N3O5/c32-31(33,34)42-27-16-12-25(13-17-27)30(41)36-37(26-14-10-23(11-15-26)22-4-2-1-3-5-22)20-21-6-8-24(9-7-21)29(40)35-19-18-28(38)39/h1-9,12-13,16-17,23,26H,10-11,14-15,18-20H2,(H,35,40)(H,36,41)(H,38,39)