2-(2-methylpropylcarbamoylamino)-2-[(4-naphthalen-1-ylphenyl)methyl]-4-phenethyl-pentanedioic acid

Systemtic Name: 2-(2-methylpropylcarbamoylamino)-2-[(4-naphthalen-1-ylphenyl)methyl]-4-phenethyl-pentanedioic acid Openeye Name: 2-(isobutylcarbamoylamino)-2-[[4-(1-naphthyl)phenyl]methyl]-4-phenethyl-pentanedioic acid CAS Name: 2-[[(2-methylpropylamino)-oxomethyl]amino]-2-[[4-(1-naphthalenyl)phenyl]methyl]-4-phenethylpentanedioic acid IUPAC Name: 2-(2-methylpropylcarbamoylamino)-2-[(4-naphthalen-1-ylphenyl)methyl]-4-phenethylpentanedioic acid Traditional Name: 2-(isobutylcarbamoylamino)-2-[4-(1-naphthyl)benzyl]-4-phenethyl-glutaric acid Formula: C35H38N2O5 MolecularWeight: 566.68662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(CC1=CC=C(C=C1)C2=CC=CC3=CC=CC=C32)(CC(CCC4=CC=CC=C4)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)NC(CC1=CC=C(C=C1)C2=CC=CC3=CC=CC=C32)(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)41,22-29(32(38)39)20-15-25-9-4-3-5-10-25)21-26-16-18-28(19-17-26)31-14-8-12-27-11-6-7-13-30(27)31/h3-14,16-19,24,29H,15,20-23H2,1-2H3,(H,38,39)(H,40,41)(H2,36,37,42)