(2E)-2-[(2S)-3-oxidanyl-3-oxidanylidene-2-(2-phenoxyethanoylamino)propoxy]iminopentanedioic acid

Systemtic Name: (2E)-2-[(2S)-3-oxidanyl-3-oxidanylidene-2-(2-phenoxyethanoylamino)propoxy]iminopentanedioic acid Openeye Name: (2E)-2-[(2S)-3-hydroxy-3-oxo-2-[(2-phenoxyacetyl)amino]propoxy]iminopentanedioic acid CAS Name: (2E)-2-[(2S)-3-hydroxy-3-oxo-2-[(1-oxo-2-phenoxyethyl)amino]propoxy]iminopentanedioic acid IUPAC Name: (2E)-2-[(2S)-3-hydroxy-3-oxo-2-[(2-phenoxyacetyl)amino]propoxy]iminopentanedioic acid Traditional Name: (2E)-2-[(2S)-3-hydroxy-3-keto-2-[(2-phenoxyacetyl)amino]propyl]oximinoglutaric acid Formula: C16H18N2O9 MolecularWeight: 382.32212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)N[C@@H](CO/N=C(\CCC(=O)O)/C(=O)O)C(=O)O

InChI

InChI=1S/C16H18N2O9/c19-13(9-26-10-4-2-1-3-5-10)17-12(16(24)25)8-27-18-11(15(22)23)6-7-14(20)21/h1-5,12H,6-9H2,(H,17,19)(H,20,21)(H,22,23)(H,24,25)/b18-11+/t12-/m0/s1