3-azanyl-3,4-bis(carboxymethyl)-4-[carboxymethyl(2-hydroxyethyl)amino]hexanedioic acid

Systemtic Name: 3-azanyl-3,4-bis(carboxymethyl)-4-[carboxymethyl(2-hydroxyethyl)amino]hexanedioic acid Openeye Name: 3-amino-3,4-bis(carboxymethyl)-4-[carboxymethyl(2-hydroxyethyl)amino]hexanedioic acid CAS Name: 3-amino-3,4-bis(carboxymethyl)-4-[carboxymethyl(2-hydroxyethyl)amino]hexanedioic acid IUPAC Name: 3-amino-3,4-bis(carboxymethyl)-4-[carboxymethyl(2-hydroxyethyl)amino]hexanedioic acid Traditional Name: 3-amino-3,4-bis(carboxymethyl)-4-[carboxymethyl(2-hydroxyethyl)amino]adipic acid Formula: C14H22N2O11 MolecularWeight: 394.33128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O11/c15-13(3-8(18)19,4-9(20)21)14(5-10(22)23,6-11(24)25)16(1-2-17)7-12(26)27/h17H,1-7,15H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)