2-acetamido-3-[[2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-3-ethoxy-3-oxidanylidene-propyl]disulfanyl]-3-methyl-butanoic acid

Systemtic Name: 2-acetamido-3-[[2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-3-ethoxy-3-oxidanylidene-propyl]disulfanyl]-3-methyl-butanoic acid Openeye Name: 2-acetamido-3-[[2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-3-ethoxy-3-oxo-propyl]disulfanyl]-3-methyl-butanoic acid CAS Name: 2-acetamido-3-[[2-[(2,2-dimethyl-3-nitrooxy-1-oxopropyl)amino]-3-ethoxy-3-oxopropyl]disulfanyl]-3-methylbutanoic acid IUPAC Name: 2-acetamido-3-[[2-[(2,2-dimethyl-3-nitrooxypropanoyl)amino]-3-ethoxy-3-oxopropyl]disulfanyl]-3-methylbutanoic acid Traditional Name: 2-acetamido-3-[[2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-3-ethoxy-3-keto-propyl]disulfanyl]-3-methyl-butyric acid Formula: C17H29N3O9S2 MolecularWeight: 483.55686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3O9S2/c1-7-28-14(24)11(19-15(25)16(3,4)9-29-20(26)27)8-30-31-17(5,6)12(13(22)23)18-10(2)21/h11-12H,7-9H2,1-6H3,(H,18,21)(H,19,25)(H,22,23)