3-azanyl-4-[1,1-bis(oxidanyl)ethylamino]-3,4-bis(carboxymethyl)hexanedioic acid

Systemtic Name: 3-azanyl-4-[1,1-bis(oxidanyl)ethylamino]-3,4-bis(carboxymethyl)hexanedioic acid Openeye Name: 3-amino-3,4-bis(carboxymethyl)-4-(1,1-dihydroxyethylamino)hexanedioic acid CAS Name: 3-amino-3,4-bis(carboxymethyl)-4-(1,1-dihydroxyethylamino)hexanedioic acid IUPAC Name: 3-amino-3,4-bis(carboxymethyl)-4-(1,1-dihydroxyethylamino)hexanedioic acid Traditional Name: 3-amino-3,4-bis(carboxymethyl)-4-(1,1-dihydroxyethylamino)adipic acid Formula: C12H20N2O10 MolecularWeight: 352.2946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N2O10/c1-10(23,24)14-12(4-8(19)20,5-9(21)22)11(13,2-6(15)16)3-7(17)18/h14,23-24H,2-5,13H2,1H3,(H,15,16)(H,17,18)(H,19,20)(H,21,22)