3-[bis(azanyl)-(4-oxidanyl-4-oxidanylidene-butan-2-yl)oxy-methyl]-3-(carboxymethyl)pentanedioic acid

Systemtic Name: 3-[bis(azanyl)-(4-oxidanyl-4-oxidanylidene-butan-2-yl)oxy-methyl]-3-(carboxymethyl)pentanedioic acid Openeye Name: 3-(carboxymethyl)-3-[diamino-(3-hydroxy-1-methyl-3-oxo-propoxy)methyl]pentanedioic acid CAS Name: 3-(carboxymethyl)-3-[diamino-(4-hydroxy-4-oxobutan-2-yl)oxymethyl]pentanedioic acid IUPAC Name: 3-(carboxymethyl)-3-[diamino-(4-hydroxy-4-oxobutan-2-yl)oxymethyl]pentanedioic acid Traditional Name: 3-(carboxymethyl)-3-[diamino-(3-hydroxy-3-keto-1-methyl-propoxy)methyl]glutaric acid Formula: C12H20N2O9 MolecularWeight: 336.2952

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)OC(C(CC(=O)O)(CC(=O)O)CC(=O)O)(N)N

Isomeric SMILES

CC(CC(=O)O)OC(C(CC(=O)O)(CC(=O)O)CC(=O)O)(N)N

InChI

InChI=1S/C12H20N2O9/c1-6(2-7(15)16)23-12(13,14)11(3-8(17)18,4-9(19)20)5-10(21)22/h6H,2-5,13-14H2,1H3,(H,15,16)(H,17,18)(H,19,20)(H,21,22)