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

Systemtic Name: (2S)-3-methyl-2-[(4-methyl-3-oxidanyl-phenyl)carbonylamino]butanoate Openeye Name: (2S)-2-[(3-hydroxy-4-methyl-benzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(3-hydroxy-4-methylphenyl)-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[(3-hydroxy-4-methylbenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(3-hydroxy-4-methyl-benzoyl)amino]-3-methyl-butyrate Formula: C13H16NO4- MolecularWeight: 250.27044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-7(2)11(13(17)18)14-12(16)9-5-4-8(3)10(15)6-9/h4-7,11,15H,1-3H3,(H,14,16)(H,17,18)/p-1/t11-/m0/s1