2-(2-azanylpropanoylamino)-3-oxidanyl-propanoic acid; (E)-2-diazonio-1-oxidanyl-ethenolate

Systemtic Name: 2-(2-azanylpropanoylamino)-3-oxidanyl-propanoic acid; (E)-2-diazonio-1-oxidanyl-ethenolate Openeye Name: 2-(2-aminopropanoylamino)-3-hydroxy-propanoic acid; (E)-2-diazonio-1-hydroxy-ethenolate CAS Name: 2-[(2-amino-1-oxopropyl)amino]-3-hydroxypropanoic acid; (E)-2-diazonio-1-hydroxyethenolate IUPAC Name: 2-(2-aminopropanoylamino)-3-hydroxypropanoic acid; (E)-2-diazonio-1-hydroxyethenolate Traditional Name: 2-(alanylamino)-3-hydroxy-propionic acid; (E)-2-diazonio-1-hydroxy-ethenolate Formula: C8H14N4O6 MolecularWeight: 262.21996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CO)C(=O)O)N.C(=C(O)[O-])[N+]#N

Isomeric SMILES

CC(C(=O)NC(CO)C(=O)O)N.C(=C(/O)\[O-])\[N+]#N

InChI

InChI=1S/C6H12N2O4.C2H2N2O2/c1-3(7)5(10)8-4(2-9)6(11)12;3-4-1-2(5)6/h3-4,9H,2,7H2,1H3,(H,8,10)(H,11,12);1H,(H-,5,6)