(2S,3S)-2-[2-(2-methylphenyl)ethanoylamino]-3-oxidanyl-butanoate

Systemtic Name: (2S,3S)-2-[2-(2-methylphenyl)ethanoylamino]-3-oxidanyl-butanoate Openeye Name: (2S,3S)-3-hydroxy-2-[[2-(o-tolyl)acetyl]amino]butanoate CAS Name: (2S,3S)-3-hydroxy-2-[[2-(2-methylphenyl)-1-oxoethyl]amino]butanoate IUPAC Name: (2S,3S)-3-hydroxy-2-[[2-(2-methylphenyl)acetyl]amino]butanoate Traditional Name: (2S,3S)-3-hydroxy-2-[[2-(o-tolyl)acetyl]amino]butyrate Formula: C13H16NO4- MolecularWeight: 250.27044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)NC(C(C)O)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CC(=O)N[C@@H]([C@H](C)O)C(=O)[O-]

InChI

InChI=1S/C13H17NO4/c1-8-5-3-4-6-10(8)7-11(16)14-12(9(2)15)13(17)18/h3-6,9,12,15H,7H2,1-2H3,(H,14,16)(H,17,18)/p-1/t9-,12-/m0/s1