4-azanylbutanoic acid; 3,4-bis(azanyl)-3-(carboxymethyl)hexanedioic acid; hexanedioic acid

Systemtic Name: 4-azanylbutanoic acid; 3,4-bis(azanyl)-3-(carboxymethyl)hexanedioic acid; hexanedioic acid Openeye Name: adipic acid; 4-aminobutanoic acid; 3,4-diamino-3-(carboxymethyl)hexanedioic acid CAS Name: 4-aminobutanoic acid; 3,4-diamino-3-(carboxymethyl)hexanedioic acid; hexanedioic acid IUPAC Name: 4-aminobutanoic acid; 3,4-diamino-3-(carboxymethyl)hexanedioic acid; hexanedioic acid Traditional Name: adipic acid; 4-aminobutyric acid; 3,4-diamino-3-(carboxymethyl)adipic acid Formula: C18H33N3O12 MolecularWeight: 483.46752

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(=O)O)CC(=O)O.C(CC(=O)O)CN.C(C(C(CC(=O)O)(CC(=O)O)N)N)C(=O)O

Isomeric SMILES

C(CCC(=O)O)CC(=O)O.C(CC(=O)O)CN.C(C(C(CC(=O)O)(CC(=O)O)N)N)C(=O)O

InChI

InChI=1S/C8H14N2O6.C6H10O4.C4H9NO2/c9-4(1-5(11)12)8(10,2-6(13)14)3-7(15)16;7-5(8)3-1-2-4-6(9)10;5-3-1-2-4(6)7/h4H,1-3,9-10H2,(H,11,12)(H,13,14)(H,15,16);1-4H2,(H,7,8)(H,9,10);1-3,5H2,(H,6,7)