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

Systemtic Name: ethyl 3-(2-acetamidopropanoylsulfanyl)-2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]propanoate Openeye Name: ethyl 3-(2-acetamidopropanoylsulfanyl)-2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]propanoate CAS Name: 3-[(2-acetamido-1-oxopropyl)thio]-2-[(2,2-dimethyl-3-nitrooxy-1-oxopropyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-(2-acetamidopropanoylsulfanyl)-2-[(2,2-dimethyl-3-nitrooxypropanoyl)amino]propanoate Traditional Name: 3-(2-acetamidopropanoylthio)-2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]propionic acid ethyl ester Formula: C15H25N3O8S MolecularWeight: 407.4393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25N3O8S/c1-6-25-12(20)11(7-27-13(21)9(2)16-10(3)19)17-14(22)15(4,5)8-26-18(23)24/h9,11H,6-8H2,1-5H3,(H,16,19)(H,17,22)