3-azanyl-3,4-bis(carboxymethyl)-4-(2-hydroxyethylamino)hexanedioic acid

Systemtic Name: 3-azanyl-3,4-bis(carboxymethyl)-4-(2-hydroxyethylamino)hexanedioic acid Openeye Name: 3-amino-3,4-bis(carboxymethyl)-4-(2-hydroxyethylamino)hexanedioic acid CAS Name: 3-amino-3,4-bis(carboxymethyl)-4-(2-hydroxyethylamino)hexanedioic acid IUPAC Name: 3-amino-3,4-bis(carboxymethyl)-4-(2-hydroxyethylamino)hexanedioic acid Traditional Name: 3-amino-3,4-bis(carboxymethyl)-4-(2-hydroxyethylamino)adipic acid Formula: C12H20N2O9 MolecularWeight: 336.2952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N2O9/c13-11(3-7(16)17,4-8(18)19)12(5-9(20)21,6-10(22)23)14-1-2-15/h14-15H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)(H,22,23)