4-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(1S)-1-[(4-hydroxyphenyl)methyl]-2-oxido-2-oxo-ethyl]amino]-4-oxo-butanoate CAS Name: 4-[[(2S)-3-(4-hydroxyphenyl)-1-oxido-1-oxopropan-2-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[(2S)-3-(4-hydroxyphenyl)-1-oxido-1-oxopropan-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[(1S)-1-(4-hydroxybenzyl)-2-keto-2-oxido-ethyl]amino]-4-keto-butyrate Formula: C13H13NO6-2 MolecularWeight: 279.24542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)[O-])NC(=O)CCC(=O)[O-])O

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)[O-])NC(=O)CCC(=O)[O-])O

InChI

InChI=1S/C13H15NO6/c15-9-3-1-8(2-4-9)7-10(13(19)20)14-11(16)5-6-12(17)18/h1-4,10,15H,5-7H2,(H,14,16)(H,17,18)(H,19,20)/p-2/t10-/m0/s1