3-azanyl-3,4-bis(carboxymethyl)-4-(hydroxymethylamino)hexanedioic acid

Systemtic Name: 3-azanyl-3,4-bis(carboxymethyl)-4-(hydroxymethylamino)hexanedioic acid Openeye Name: 3-amino-3,4-bis(carboxymethyl)-4-(hydroxymethylamino)hexanedioic acid CAS Name: 3-amino-3,4-bis(carboxymethyl)-4-(hydroxymethylamino)hexanedioic acid IUPAC Name: 3-amino-3,4-bis(carboxymethyl)-4-(hydroxymethylamino)hexanedioic acid Traditional Name: 3-amino-3,4-bis(carboxymethyl)-4-(methylolamino)adipic acid Formula: C11H18N2O9 MolecularWeight: 322.26862

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)O)C(CC(=O)O)(C(CC(=O)O)(CC(=O)O)NCO)N

Isomeric SMILES

C(C(=O)O)C(CC(=O)O)(C(CC(=O)O)(CC(=O)O)NCO)N

InChI

InChI=1S/C11H18N2O9/c12-10(1-6(15)16,2-7(17)18)11(13-5-14,3-8(19)20)4-9(21)22/h13-14H,1-5,12H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)