2-[[2-methylpropylcarbamoyl-(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]methyl]-4-phenyl-butanoic acid

Systemtic Name: 2-[[2-methylpropylcarbamoyl-(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]methyl]-4-phenyl-butanoic acid Openeye Name: 2-[[(2-hydroxy-1-methyl-2-oxo-ethyl)-(isobutylcarbamoyl)amino]methyl]-4-phenyl-butanoic acid CAS Name: 2-[[(1-hydroxy-1-oxopropan-2-yl)-[(2-methylpropylamino)-oxomethyl]amino]methyl]-4-phenylbutanoic acid IUPAC Name: 2-[[(1-hydroxy-1-oxopropan-2-yl)-(2-methylpropylcarbamoyl)amino]methyl]-4-phenylbutanoic acid Traditional Name: 2-[[(2-hydroxy-2-keto-1-methyl-ethyl)-(isobutylcarbamoyl)amino]methyl]-4-phenyl-butyric acid Formula: C19H28N2O5 MolecularWeight: 364.43602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)N(CC(CCC1=CC=CC=C1)C(=O)O)C(C)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)N(CC(CCC1=CC=CC=C1)C(=O)O)C(C)C(=O)O

InChI

InChI=1S/C19H28N2O5/c1-13(2)11-20-19(26)21(14(3)17(22)23)12-16(18(24)25)10-9-15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3,(H,20,26)(H,22,23)(H,24,25)