2-(aminocarbonylamino)-3-methyl-5-pyridin-2-yl-pentanoic acid; 2-azanylbutanedioic acid; 2-azanylpropanoic acid

Systemtic Name: 2-(aminocarbonylamino)-3-methyl-5-pyridin-2-yl-pentanoic acid; 2-azanylbutanedioic acid; 2-azanylpropanoic acid Openeye Name: 2-aminobutanedioic acid; 2-aminopropanoic acid; 3-methyl-5-(2-pyridyl)-2-ureido-pentanoic acid CAS Name: 2-aminobutanedioic acid; 2-aminopropanoic acid; 2-(carbamoylamino)-3-methyl-5-(2-pyridinyl)pentanoic acid IUPAC Name: 2-aminobutanedioic acid; 2-aminopropanoic acid; 2-(carbamoylamino)-3-methyl-5-pyridin-2-ylpentanoic acid Traditional Name: 2-aminopropionic acid; 2-aminosuccinic acid; 3-methyl-5-(2-pyridyl)-2-ureido-valeric acid Formula: C19H31N5O9 MolecularWeight: 473.47754

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=N1)C(C(=O)O)NC(=O)N.CC(C(=O)O)N.C(C(C(=O)O)N)C(=O)O

Isomeric SMILES

CC(CCC1=CC=CC=N1)C(C(=O)O)NC(=O)N.CC(C(=O)O)N.C(C(C(=O)O)N)C(=O)O

InChI

InChI=1S/C12H17N3O3.C4H7NO4.C3H7NO2/c1-8(10(11(16)17)15-12(13)18)5-6-9-4-2-3-7-14-9;5-2(4(8)9)1-3(6)7;1-2(4)3(5)6/h2-4,7-8,10H,5-6H2,1H3,(H,16,17)(H3,13,15,18);2H,1,5H2,(H,6,7)(H,8,9);2H,4H2,1H3,(H,5,6)