methyl (2R,3S)-4-[(4-methylphenyl)methylamino]-2,3-bis(oxidanyl)-4-oxidanylidene-butanoate

Systemtic Name: methyl (2R,3S)-4-[(4-methylphenyl)methylamino]-2,3-bis(oxidanyl)-4-oxidanylidene-butanoate Openeye Name: methyl (2R,3S)-2,3-dihydroxy-4-oxo-4-(p-tolylmethylamino)butanoate CAS Name: (2R,3S)-2,3-dihydroxy-4-[(4-methylphenyl)methylamino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2,3-dihydroxy-4-[(4-methylphenyl)methylamino]-4-oxobutanoate Traditional Name: (2R,3S)-2,3-dihydroxy-4-keto-4-[(4-methylbenzyl)amino]butyric acid methyl ester Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C(C(=O)OC)O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H]([C@H](C(=O)OC)O)O

InChI

InChI=1S/C13H17NO5/c1-8-3-5-9(6-4-8)7-14-12(17)10(15)11(16)13(18)19-2/h3-6,10-11,15-16H,7H2,1-2H3,(H,14,17)/t10-,11+/m0/s1