(2S)-2-[[(1S)-1-(4-hydroxyphenyl)-2-oxidanyl-2-oxidanylidene-ethyl]carbamoylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[(1S)-1-(4-hydroxyphenyl)-2-oxidanyl-2-oxidanylidene-ethyl]carbamoylamino]pentanedioic acid Openeye Name: (2S)-2-[[(1S)-2-hydroxy-1-(4-hydroxyphenyl)-2-oxo-ethyl]carbamoylamino]pentanedioic acid CAS Name: (2S)-2-[[[[(1S)-2-hydroxy-1-(4-hydroxyphenyl)-2-oxoethyl]amino]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(1S)-2-hydroxy-1-(4-hydroxyphenyl)-2-oxoethyl]carbamoylamino]pentanedioic acid Traditional Name: (2S)-2-[[(1S)-2-hydroxy-1-(4-hydroxyphenyl)-2-keto-ethyl]carbamoylamino]glutaric acid Formula: C14H16N2O8 MolecularWeight: 340.28544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O8/c17-8-3-1-7(2-4-8)11(13(22)23)16-14(24)15-9(12(20)21)5-6-10(18)19/h1-4,9,11,17H,5-6H2,(H,18,19)(H,20,21)(H,22,23)(H2,15,16,24)/t9-,11-/m0/s1