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

Systemtic Name: (2S,3S)-2-[(2-methylphenyl)carbonylamino]-3-oxidanyl-butanoate Openeye Name: (2S,3S)-3-hydroxy-2-[(2-methylbenzoyl)amino]butanoate CAS Name: (2S,3S)-3-hydroxy-2-[[(2-methylphenyl)-oxomethyl]amino]butanoate IUPAC Name: (2S,3S)-3-hydroxy-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: (2S,3S)-3-hydroxy-2-(o-toluoylamino)butyrate Formula: C12H14NO4- MolecularWeight: 236.24386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)O)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H]([C@H](C)O)C(=O)[O-]

InChI

InChI=1S/C12H15NO4/c1-7-5-3-4-6-9(7)11(15)13-10(8(2)14)12(16)17/h3-6,8,10,14H,1-2H3,(H,13,15)(H,16,17)/p-1/t8-,10-/m0/s1