(E)-6-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]hept-3-enedioic acid

Systemtic Name: (E)-6-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]hept-3-enedioic acid Openeye Name: (E)-6-[(4-amino-5-hydroxy-5-oxo-pentanoyl)amino]hept-3-enedioic acid CAS Name: (E)-6-[(4-amino-5-hydroxy-1,5-dioxopentyl)amino]-3-heptenedioic acid IUPAC Name: (E)-6-[(4-amino-5-hydroxy-5-oxopentanoyl)amino]hept-3-enedioic acid Traditional Name: (E)-6-[(4-amino-5-hydroxy-5-keto-pentanoyl)amino]hept-3-enedioic acid Formula: C12H18N2O7 MolecularWeight: 302.28052

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)NC(CC=CCC(=O)O)C(=O)O)C(C(=O)O)N

Isomeric SMILES

C(CC(=O)NC(C/C=C/CC(=O)O)C(=O)O)C(C(=O)O)N

InChI

InChI=1S/C12H18N2O7/c13-7(11(18)19)5-6-9(15)14-8(12(20)21)3-1-2-4-10(16)17/h1-2,7-8H,3-6,13H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)/b2-1+