2-(methylamino)-6-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]heptanedioic acid

Systemtic Name: 2-(methylamino)-6-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]heptanedioic acid Openeye Name: 2-[(4-hydroxy-4-oxo-butanoyl)amino]-6-(methylamino)heptanedioic acid CAS Name: 2-[(4-hydroxy-1,4-dioxobutyl)amino]-6-(methylamino)heptanedioic acid IUPAC Name: 2-[(4-hydroxy-4-oxobutanoyl)amino]-6-(methylamino)heptanedioic acid Traditional Name: 2-[(4-hydroxy-4-keto-butanoyl)amino]-6-(methylamino)pimelic acid Formula: C12H20N2O7 MolecularWeight: 304.2964

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CCCC(C(=O)O)NC(=O)CCC(=O)O)C(=O)O

Isomeric SMILES

CNC(CCCC(C(=O)O)NC(=O)CCC(=O)O)C(=O)O

InChI

InChI=1S/C12H20N2O7/c1-13-7(11(18)19)3-2-4-8(12(20)21)14-9(15)5-6-10(16)17/h7-8,13H,2-6H2,1H3,(H,14,15)(H,16,17)(H,18,19)(H,20,21)