2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 2-azanylbutanedioic acid; 2-azanylpropanoic acid

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 2-azanylbutanedioic acid; 2-azanylpropanoic acid Openeye Name: 2-aminobutanedioic acid; 2-amino-5-guanidino-pentanoic acid; 2-aminopropanoic acid CAS Name: 2-aminobutanedioic acid; 2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-aminopropanoic acid IUPAC Name: 2-aminobutanedioic acid; 2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-aminopropanoic acid Traditional Name: 2-amino-5-guanidino-valeric acid; 2-aminopropionic acid; 2-aminosuccinic acid Formula: C13H28N6O8 MolecularWeight: 396.39682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H14N4O2.C4H7NO4.C3H7NO2/c7-4(5(11)12)2-1-3-10-6(8)9;5-2(4(8)9)1-3(6)7;1-2(4)3(5)6/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2H,1,5H2,(H,6,7)(H,8,9);2H,4H2,1H3,(H,5,6)