3-azanyl-3,4-bis(carboxymethyl)-4-[tris(azanyl)methyl]hexanedioic acid

Systemtic Name: 3-azanyl-3,4-bis(carboxymethyl)-4-[tris(azanyl)methyl]hexanedioic acid Openeye Name: 3-amino-3,4-bis(carboxymethyl)-4-(triaminomethyl)hexanedioic acid CAS Name: 3-amino-3,4-bis(carboxymethyl)-4-(triaminomethyl)hexanedioic acid IUPAC Name: 3-amino-3,4-bis(carboxymethyl)-4-(triaminomethyl)hexanedioic acid Traditional Name: 3-amino-3,4-bis(carboxymethyl)-4-(triaminomethyl)adipic acid Formula: C11H20N4O8 MolecularWeight: 336.2985

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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)N)C(N)(N)N

Isomeric SMILES

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

InChI

InChI=1S/C11H20N4O8/c12-10(3-7(20)21,4-8(22)23)9(1-5(16)17,2-6(18)19)11(13,14)15/h1-4,12-15H2,(H,16,17)(H,18,19)(H,20,21)(H,22,23)