(2R)-2-acetamido-3-sulfanyl-propanoic acid; 1,3-dinitrooxypropan-2-yl nitrate

Systemtic Name: (2R)-2-acetamido-3-sulfanyl-propanoic acid; 1,3-dinitrooxypropan-2-yl nitrate Openeye Name: (2R)-2-acetamido-3-sulfanyl-propanoic acid; 2,3-dinitrooxypropyl nitrate CAS Name: (2R)-2-acetamido-3-mercaptopropanoic acid; nitric acid 1,3-dinitrooxypropan-2-yl ester IUPAC Name: (2R)-2-acetamido-3-sulfanylpropanoic acid; 1,3-dinitrooxypropan-2-yl nitrate Traditional Name: (2R)-2-acetamido-3-mercapto-propionic acid; nitric acid 2,3-dinitrooxypropyl ester Formula: C8H14N4O12S MolecularWeight: 390.28136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)N[C@@H](CS)C(=O)O.C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C5H9NO3S.C3H5N3O9/c1-3(7)6-4(2-10)5(8)9;7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h4,10H,2H2,1H3,(H,6,7)(H,8,9);3H,1-2H2/t4-;/m0./s1