(2S,3S)-2-[(4-methyl-2-oxidanyl-phenyl)carbonylamino]-3-oxidanyl-butanoate

Systemtic Name: (2S,3S)-2-[(4-methyl-2-oxidanyl-phenyl)carbonylamino]-3-oxidanyl-butanoate Openeye Name: (2S,3S)-3-hydroxy-2-[(2-hydroxy-4-methyl-benzoyl)amino]butanoate CAS Name: (2S,3S)-3-hydroxy-2-[[(2-hydroxy-4-methylphenyl)-oxomethyl]amino]butanoate IUPAC Name: (2S,3S)-3-hydroxy-2-[(2-hydroxy-4-methylbenzoyl)amino]butanoate Traditional Name: (2S,3S)-3-hydroxy-2-[(2-hydroxy-4-methyl-benzoyl)amino]butyrate Formula: C12H14NO5- MolecularWeight: 252.24326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5/c1-6-3-4-8(9(15)5-6)11(16)13-10(7(2)14)12(17)18/h3-5,7,10,14-15H,1-2H3,(H,13,16)(H,17,18)/p-1/t7-,10-/m0/s1