(2S,3S)-2-[(2,5-dimethylphenyl)carbonylamino]-3-oxidanyl-butanoate

Systemtic Name: (2S,3S)-2-[(2,5-dimethylphenyl)carbonylamino]-3-oxidanyl-butanoate Openeye Name: (2S,3S)-2-[(2,5-dimethylbenzoyl)amino]-3-hydroxy-butanoate CAS Name: (2S,3S)-2-[[(2,5-dimethylphenyl)-oxomethyl]amino]-3-hydroxybutanoate IUPAC Name: (2S,3S)-2-[(2,5-dimethylbenzoyl)amino]-3-hydroxybutanoate Traditional Name: (2S,3S)-2-[(2,5-dimethylbenzoyl)amino]-3-hydroxy-butyrate Formula: C13H16NO4- MolecularWeight: 250.27044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)NC(C(C)O)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)N[C@@H]([C@H](C)O)C(=O)[O-]

InChI

InChI=1S/C13H17NO4/c1-7-4-5-8(2)10(6-7)12(16)14-11(9(3)15)13(17)18/h4-6,9,11,15H,1-3H3,(H,14,16)(H,17,18)/p-1/t9-,11-/m0/s1