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

Systemtic Name: 4-[bis(azanyl)methyl]-3,3-bis(carboxymethyl)hexanedioic acid Openeye Name: 3,3-bis(carboxymethyl)-4-(diaminomethyl)hexanedioic acid CAS Name: 3,3-bis(carboxymethyl)-4-(diaminomethyl)hexanedioic acid IUPAC Name: 3,3-bis(carboxymethyl)-4-(diaminomethyl)hexanedioic acid Traditional Name: 3,3-bis(carboxymethyl)-4-(diaminomethyl)adipic acid Formula: C11H18N2O8 MolecularWeight: 306.26922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N2O8/c12-10(13)5(1-6(14)15)11(2-7(16)17,3-8(18)19)4-9(20)21/h5,10H,1-4,12-13H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)