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

Systemtic Name: 2-[[methylcarbamoyl-(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]methyl]-4-phenyl-butanoic acid Openeye Name: 2-[[(2-hydroxy-1-methyl-2-oxo-ethyl)-(methylcarbamoyl)amino]methyl]-4-phenyl-butanoic acid CAS Name: 2-[[(1-hydroxy-1-oxopropan-2-yl)-(methylcarbamoyl)amino]methyl]-4-phenylbutanoic acid IUPAC Name: 2-[[(1-hydroxy-1-oxopropan-2-yl)-(methylcarbamoyl)amino]methyl]-4-phenylbutanoic acid Traditional Name: 2-[[(2-hydroxy-2-keto-1-methyl-ethyl)-(methylcarbamoyl)amino]methyl]-4-phenyl-butyric acid Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5/c1-11(14(19)20)18(16(23)17-2)10-13(15(21)22)9-8-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,17,23)(H,19,20)(H,21,22)