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

Systemtic Name: (2S)-2-[[2,4-bis(oxidanyl)phenyl]carbonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[(2,4-dihydroxybenzoyl)amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(2,4-dihydroxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[(2,4-dihydroxybenzoyl)amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(2,4-dihydroxybenzoyl)amino]-3-methyl-butyric acid Formula: C12H15NO5 MolecularWeight: 253.2512

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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)/t10-/m0/s1