2-(2-methylpropylcarbamoylamino)-2-[(4-naphthalen-2-ylphenyl)methyl]-4-phenethyl-pentanedioic acid

Systemtic Name: 2-(2-methylpropylcarbamoylamino)-2-[(4-naphthalen-2-ylphenyl)methyl]-4-phenethyl-pentanedioic acid Openeye Name: 2-(isobutylcarbamoylamino)-2-[[4-(2-naphthyl)phenyl]methyl]-4-phenethyl-pentanedioic acid CAS Name: 2-[[(2-methylpropylamino)-oxomethyl]amino]-2-[[4-(2-naphthalenyl)phenyl]methyl]-4-phenethylpentanedioic acid IUPAC Name: 2-(2-methylpropylcarbamoylamino)-2-[(4-naphthalen-2-ylphenyl)methyl]-4-phenethylpentanedioic acid Traditional Name: 2-(isobutylcarbamoylamino)-2-[4-(2-naphthyl)benzyl]-4-phenethyl-glutaric acid Formula: C35H38N2O5 MolecularWeight: 566.68662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(CC1=CC=C(C=C1)C2=CC3=CC=CC=C3C=C2)(CC(CCC4=CC=CC=C4)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)NC(CC1=CC=C(C=C1)C2=CC3=CC=CC=C3C=C2)(CC(CCC4=CC=CC=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C35H38N2O5/c1-24(2)23-36-34(42)37-35(33(40)41,22-31(32(38)39)17-12-25-8-4-3-5-9-25)21-26-13-15-28(16-14-26)30-19-18-27-10-6-7-11-29(27)20-30/h3-11,13-16,18-20,24,31H,12,17,21-23H2,1-2H3,(H,38,39)(H,40,41)(H2,36,37,42)