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

Systemtic Name: (3S)-3-azaniumyl-4-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: (3S)-3-azaniumyl-4-[[(1S)-1-[(4-hydroxyphenyl)methyl]-2-oxido-2-oxo-ethyl]amino]-4-oxo-butanoate CAS Name: (3S)-3-ammonio-4-[[(2S)-3-(4-hydroxyphenyl)-1-oxido-1-oxopropan-2-yl]amino]-4-oxobutanoate IUPAC Name: (3S)-3-azaniumyl-4-[[(2S)-3-(4-hydroxyphenyl)-1-oxido-1-oxopropan-2-yl]amino]-4-oxobutanoate Traditional Name: (3S)-3-ammonio-4-[[(1S)-1-(4-hydroxybenzyl)-2-keto-2-oxido-ethyl]amino]-4-keto-butyrate Formula: C13H15N2O6- MolecularWeight: 295.268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)[O-])NC(=O)C(CC(=O)[O-])[NH3+])O

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)[O-])NC(=O)[C@H](CC(=O)[O-])[NH3+])O

InChI

InChI=1S/C13H16N2O6/c14-9(6-11(17)18)12(19)15-10(13(20)21)5-7-1-3-8(16)4-2-7/h1-4,9-10,16H,5-6,14H2,(H,15,19)(H,17,18)(H,20,21)/p-1/t9-,10-/m0/s1