2-azanylbutanedioic acid; 2-azanylpropanoic acid; 2-(methoxycarbonylamino)-3-methyl-butanoic acid

Systemtic Name: 2-azanylbutanedioic acid; 2-azanylpropanoic acid; 2-(methoxycarbonylamino)-3-methyl-butanoic acid Openeye Name: 2-aminobutanedioic acid; 2-aminopropanoic acid; 2-(methoxycarbonylamino)-3-methyl-butanoic acid CAS Name: 2-aminobutanedioic acid; 2-aminopropanoic acid; 2-(methoxycarbonylamino)-3-methylbutanoic acid IUPAC Name: 2-aminobutanedioic acid; 2-aminopropanoic acid; 2-(methoxycarbonylamino)-3-methylbutanoic acid Traditional Name: 2-aminopropionic acid; 2-aminosuccinic acid; 2-(carbomethoxyamino)-3-methyl-butyric acid Formula: C14H27N3O10 MolecularWeight: 397.37828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H13NO4.C4H7NO4.C3H7NO2/c1-4(2)5(6(9)10)8-7(11)12-3;5-2(4(8)9)1-3(6)7;1-2(4)3(5)6/h4-5H,1-3H3,(H,8,11)(H,9,10);2H,1,5H2,(H,6,7)(H,8,9);2H,4H2,1H3,(H,5,6)