3-azanyl-3,4-bis(carboxymethyl)-4-(1-hydroxyethylamino)hexanedioic acid

Systemtic Name: 3-azanyl-3,4-bis(carboxymethyl)-4-(1-hydroxyethylamino)hexanedioic acid Openeye Name: 3-amino-3,4-bis(carboxymethyl)-4-(1-hydroxyethylamino)hexanedioic acid CAS Name: 3-amino-3,4-bis(carboxymethyl)-4-(1-hydroxyethylamino)hexanedioic acid IUPAC Name: 3-amino-3,4-bis(carboxymethyl)-4-(1-hydroxyethylamino)hexanedioic acid Traditional Name: 3-amino-3,4-bis(carboxymethyl)-4-(1-hydroxyethylamino)adipic acid Formula: C12H20N2O9 MolecularWeight: 336.2952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N2O9/c1-6(15)14-12(4-9(20)21,5-10(22)23)11(13,2-7(16)17)3-8(18)19/h6,14-15H,2-5,13H2,1H3,(H,16,17)(H,18,19)(H,20,21)(H,22,23)