(2R)-4-azanyl-2-[(4-methyl-3-oxidanyl-phenyl)carbonylamino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-azanyl-2-[(4-methyl-3-oxidanyl-phenyl)carbonylamino]-4-oxidanylidene-butanoate Openeye Name: (2R)-4-amino-2-[(3-hydroxy-4-methyl-benzoyl)amino]-4-oxo-butanoate CAS Name: (2R)-4-amino-2-[[(3-hydroxy-4-methylphenyl)-oxomethyl]amino]-4-oxobutanoate IUPAC Name: (2R)-4-amino-2-[(3-hydroxy-4-methylbenzoyl)amino]-4-oxobutanoate Traditional Name: (2R)-4-amino-2-[(3-hydroxy-4-methyl-benzoyl)amino]-4-keto-butyrate Formula: C12H13N2O5- MolecularWeight: 265.24202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5/c1-6-2-3-7(4-9(6)15)11(17)14-8(12(18)19)5-10(13)16/h2-4,8,15H,5H2,1H3,(H2,13,16)(H,14,17)(H,18,19)/p-1/t8-/m1/s1