(2S)-2-[[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]pentanedioic acid

Systemtic Name: (2S)-2-[[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]pentanedioic acid Openeye Name: (2S)-2-[[(E)-4-hydroxy-4-oxo-but-2-enoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[(E)-4-hydroxy-1,4-dioxobut-2-enyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(E)-4-hydroxy-4-oxobut-2-enoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[(E)-4-hydroxy-4-keto-but-2-enoyl]amino]glutaric acid Formula: C9H11NO7 MolecularWeight: 245.18614

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)O)C(C(=O)O)NC(=O)C=CC(=O)O

Isomeric SMILES

C(CC(=O)O)[C@@H](C(=O)O)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C9H11NO7/c11-6(2-4-8(14)15)10-5(9(16)17)1-3-7(12)13/h2,4-5H,1,3H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)/b4-2+/t5-/m0/s1