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

Systemtic Name: 2-(2-methylpropylcarbamoylamino)-2-[(4-naphthalen-1-ylphenyl)methyl]-4-oxidanyl-pentanedioic acid Openeye Name: 4-hydroxy-2-(isobutylcarbamoylamino)-2-[[4-(1-naphthyl)phenyl]methyl]pentanedioic acid CAS Name: 4-hydroxy-2-[[(2-methylpropylamino)-oxomethyl]amino]-2-[[4-(1-naphthalenyl)phenyl]methyl]pentanedioic acid IUPAC Name: 4-hydroxy-2-(2-methylpropylcarbamoylamino)-2-[(4-naphthalen-1-ylphenyl)methyl]pentanedioic acid Traditional Name: 4-hydroxy-2-(isobutylcarbamoylamino)-2-[4-(1-naphthyl)benzyl]glutaric acid Formula: C27H30N2O6 MolecularWeight: 478.5369

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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(C(=O)O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O6/c1-17(2)16-28-26(35)29-27(25(33)34,15-23(30)24(31)32)14-18-10-12-20(13-11-18)22-9-5-7-19-6-3-4-8-21(19)22/h3-13,17,23,30H,14-16H2,1-2H3,(H,31,32)(H,33,34)(H2,28,29,35)