ethyl (2R)-3-(2-acetamidoethanoylsulfanyl)-2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]propanoate

Systemtic Name: ethyl (2R)-3-(2-acetamidoethanoylsulfanyl)-2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]propanoate Openeye Name: ethyl (2R)-3-(2-acetamidoacetyl)sulfanyl-2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]propanoate CAS Name: (2R)-3-[(2-acetamido-1-oxoethyl)thio]-2-[(2,2-dimethyl-3-nitrooxy-1-oxopropyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-3-(2-acetamidoacetyl)sulfanyl-2-[(2,2-dimethyl-3-nitrooxypropanoyl)amino]propanoate Traditional Name: (2R)-3-[(2-acetamidoacetyl)thio]-2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]propionic acid ethyl ester Formula: C14H23N3O8S MolecularWeight: 393.41272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC(=O)CNC(=O)C)NC(=O)C(C)(C)CO[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H](CSC(=O)CNC(=O)C)NC(=O)C(C)(C)CO[N+](=O)[O-]

InChI

InChI=1S/C14H23N3O8S/c1-5-24-12(20)10(7-26-11(19)6-15-9(2)18)16-13(21)14(3,4)8-25-17(22)23/h10H,5-8H2,1-4H3,(H,15,18)(H,16,21)/t10-/m0/s1