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

Systemtic Name: (2S)-2-[[2,4-bis(oxidanyl)phenyl]carbonylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[(2,4-dihydroxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2,4-dihydroxyphenyl)-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[(2,4-dihydroxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2,4-dihydroxybenzoyl)amino]-3-methyl-butyrate Formula: C12H14NO5- MolecularWeight: 252.24326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5/c1-6(2)10(12(17)18)13-11(16)8-4-3-7(14)5-9(8)15/h3-6,10,14-15H,1-2H3,(H,13,16)(H,17,18)/p-1/t10-/m0/s1