(2S)-2-[[4-[(3-acetyloxy-2-oxidanylidene-propylidene)amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[4-[(3-acetyloxy-2-oxidanylidene-propylidene)amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[(3-acetoxy-2-oxo-propylidene)amino]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[4-[(3-acetyloxy-2-oxopropylidene)amino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[(3-acetyloxy-2-oxopropylidene)amino]benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-[(3-acetoxy-2-keto-propylidene)amino]benzoyl]amino]glutaric acid Formula: C17H18N2O8 MolecularWeight: 378.33342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=O)C=NC1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)OCC(=O)C=NC1=CC=C(C=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C17H18N2O8/c1-10(20)27-9-13(21)8-18-12-4-2-11(3-5-12)16(24)19-14(17(25)26)6-7-15(22)23/h2-5,8,14H,6-7,9H2,1H3,(H,19,24)(H,22,23)(H,25,26)/t14-/m0/s1