2-[[1-oxidanyl-1-oxidanylidene-6-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]hexan-2-yl]amino]propanedioic acid

Systemtic Name: 2-[[1-oxidanyl-1-oxidanylidene-6-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]hexan-2-yl]amino]propanedioic acid Openeye Name: 2-[[1-carboxy-5-[(4-hydroxy-4-oxo-butanoyl)amino]pentyl]amino]propanedioic acid CAS Name: 2-[[1-hydroxy-6-[(4-hydroxy-1,4-dioxobutyl)amino]-1-oxohexan-2-yl]amino]propanedioic acid IUPAC Name: 2-[[1-hydroxy-6-[(4-hydroxy-4-oxobutanoyl)amino]-1-oxohexan-2-yl]amino]propanedioic acid Traditional Name: 2-[[1-carboxy-5-[(4-hydroxy-4-keto-butanoyl)amino]pentyl]amino]malonic acid Formula: C13H20N2O9 MolecularWeight: 348.3059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O9/c16-8(4-5-9(17)18)14-6-2-1-3-7(11(19)20)15-10(12(21)22)13(23)24/h7,10,15H,1-6H2,(H,14,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)