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

Systemtic Name: 3-[[4-[[(4-tert-butylcyclohexyl)-[[3-(trifluoromethyloxy)phenyl]carbonylamino]amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[(4-tert-butylcyclohexyl)-[[3-(trifluoromethoxy)benzoyl]amino]amino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[(4-tert-butylcyclohexyl)-[[oxo-[3-(trifluoromethoxy)phenyl]methyl]amino]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[(4-tert-butylcyclohexyl)-[[3-(trifluoromethoxy)benzoyl]amino]amino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[(4-tert-butylcyclohexyl)-[[3-(trifluoromethoxy)benzoyl]amino]amino]methyl]benzoyl]amino]propionic acid Formula: C29H36F3N3O5 MolecularWeight: 563.60845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)NC(=O)C3=CC(=CC=C3)OC(F)(F)F

Isomeric SMILES

CC(C)(C)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)NC(=O)C3=CC(=CC=C3)OC(F)(F)F

InChI

InChI=1S/C29H36F3N3O5/c1-28(2,3)22-11-13-23(14-12-22)35(34-27(39)21-5-4-6-24(17-21)40-29(30,31)32)18-19-7-9-20(10-8-19)26(38)33-16-15-25(36)37/h4-10,17,22-23H,11-16,18H2,1-3H3,(H,33,38)(H,34,39)(H,36,37)