(3S)-3-[[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]hexanedioic acid

Systemtic Name: (3S)-3-[[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]hexanedioic acid Openeye Name: (3S)-3-[[(2S)-2-acetamido-4-hydroxy-4-oxo-butanoyl]amino]hexanedioic acid CAS Name: (3S)-3-[[(2S)-2-acetamido-4-hydroxy-1,4-dioxobutyl]amino]hexanedioic acid IUPAC Name: (3S)-3-[[(2S)-2-acetamido-4-hydroxy-4-oxobutanoyl]amino]hexanedioic acid Traditional Name: (3S)-3-[[(2S)-2-acetamido-4-hydroxy-4-keto-butanoyl]amino]adipic acid Formula: C12H18N2O8 MolecularWeight: 318.27992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O8/c1-6(15)13-8(5-11(20)21)12(22)14-7(4-10(18)19)2-3-9(16)17/h7-8H,2-5H2,1H3,(H,13,15)(H,14,22)(H,16,17)(H,18,19)(H,20,21)/t7-,8-/m0/s1