2-azanylbutanedioic acid; 2-azanylpropanoic acid; 3-methyl-2-(pyridin-3-ylmethoxycarbonylamino)butanoic acid

Systemtic Name: 2-azanylbutanedioic acid; 2-azanylpropanoic acid; 3-methyl-2-(pyridin-3-ylmethoxycarbonylamino)butanoic acid Openeye Name: 2-aminobutanedioic acid; 2-aminopropanoic acid; 3-methyl-2-(3-pyridylmethoxycarbonylamino)butanoic acid CAS Name: 2-aminobutanedioic acid; 2-aminopropanoic acid; 3-methyl-2-[[oxo(3-pyridinylmethoxy)methyl]amino]butanoic acid IUPAC Name: 2-aminobutanedioic acid; 2-aminopropanoic acid; 3-methyl-2-(pyridin-3-ylmethoxycarbonylamino)butanoic acid Traditional Name: 2-aminopropionic acid; 2-aminosuccinic acid; 3-methyl-2-(3-pyridylmethoxycarbonylamino)butyric acid Formula: C19H30N4O10 MolecularWeight: 474.4623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)OCC1=CN=CC=C1.CC(C(=O)O)N.C(C(C(=O)O)N)C(=O)O

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)OCC1=CN=CC=C1.CC(C(=O)O)N.C(C(C(=O)O)N)C(=O)O

InChI

InChI=1S/C12H16N2O4.C4H7NO4.C3H7NO2/c1-8(2)10(11(15)16)14-12(17)18-7-9-4-3-5-13-6-9;5-2(4(8)9)1-3(6)7;1-2(4)3(5)6/h3-6,8,10H,7H2,1-2H3,(H,14,17)(H,15,16);2H,1,5H2,(H,6,7)(H,8,9);2H,4H2,1H3,(H,5,6)