3-[[4-[(4-cyclohexylphenyl)-[[3-(hydroxymethyl)-4-(trifluoromethyloxy)phenyl]carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[(4-cyclohexylphenyl)-[[3-(hydroxymethyl)-4-(trifluoromethyloxy)phenyl]carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-cyclohexylphenyl)-[[3-(hydroxymethyl)-4-(trifluoromethoxy)phenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(4-cyclohexylphenyl)-[[[3-(hydroxymethyl)-4-(trifluoromethoxy)anilino]-oxomethyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-cyclohexylphenyl)-[[3-(hydroxymethyl)-4-(trifluoromethoxy)phenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-cyclohexylphenyl)-[[3-methylol-4-(trifluoromethoxy)phenyl]carbamoylamino]methyl]benzoyl]amino]propionic acid Formula: C32H34F3N3O6 MolecularWeight: 613.62407

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C(=O)NCCC(=O)O)NC(=O)NC4=CC(=C(C=C4)OC(F)(F)F)CO

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C(=O)NCCC(=O)O)NC(=O)NC4=CC(=C(C=C4)OC(F)(F)F)CO

InChI

InChI=1S/C32H34F3N3O6/c33-32(34,35)44-27-15-14-26(18-25(27)19-39)37-31(43)38-29(22-8-6-21(7-9-22)20-4-2-1-3-5-20)23-10-12-24(13-11-23)30(42)36-17-16-28(40)41/h6-15,18,20,29,39H,1-5,16-17,19H2,(H,36,42)(H,40,41)(H2,37,38,43)