2-[[2-methylpropyl-[[1-oxidanyl-1-oxidanylidene-3-(4-phenylphenyl)propan-2-yl]carbamoyl]amino]methyl]-4-phenyl-butanoic acid

Systemtic Name: 2-[[2-methylpropyl-[[1-oxidanyl-1-oxidanylidene-3-(4-phenylphenyl)propan-2-yl]carbamoyl]amino]methyl]-4-phenyl-butanoic acid Openeye Name: 2-[[[2-hydroxy-2-oxo-1-[(4-phenylphenyl)methyl]ethyl]carbamoyl-isobutyl-amino]methyl]-4-phenyl-butanoic acid CAS Name: 2-[[[[[1-hydroxy-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-oxomethyl]-(2-methylpropyl)amino]methyl]-4-phenylbutanoic acid IUPAC Name: 2-[[[1-hydroxy-1-oxo-3-(4-phenylphenyl)propan-2-yl]carbamoyl-(2-methylpropyl)amino]methyl]-4-phenylbutanoic acid Traditional Name: 2-[[[2-hydroxy-2-keto-1-(4-phenylbenzyl)ethyl]carbamoyl-isobutyl-amino]methyl]-4-phenyl-butyric acid Formula: C31H36N2O5 MolecularWeight: 516.62794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(CCC1=CC=CC=C1)C(=O)O)C(=O)NC(CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)CN(CC(CCC1=CC=CC=C1)C(=O)O)C(=O)NC(CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C31H36N2O5/c1-22(2)20-33(21-27(29(34)35)18-13-23-9-5-3-6-10-23)31(38)32-28(30(36)37)19-24-14-16-26(17-15-24)25-11-7-4-8-12-25/h3-12,14-17,22,27-28H,13,18-21H2,1-2H3,(H,32,38)(H,34,35)(H,36,37)