2-acetamido-5-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-6-ethoxy-3-methyl-6-oxidanylidene-2-sulfanyl-3-(sulfanylmethyl)hexanoic acid

Systemtic Name: 2-acetamido-5-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-6-ethoxy-3-methyl-6-oxidanylidene-2-sulfanyl-3-(sulfanylmethyl)hexanoic acid Openeye Name: 2-acetamido-5-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-6-ethoxy-3-methyl-6-oxo-2-sulfanyl-3-(sulfanylmethyl)hexanoic acid CAS Name: 2-acetamido-5-[(2,2-dimethyl-3-nitrooxy-1-oxopropyl)amino]-6-ethoxy-2-mercapto-3-(mercaptomethyl)-3-methyl-6-oxohexanoic acid IUPAC Name: 2-acetamido-5-[(2,2-dimethyl-3-nitrooxypropanoyl)amino]-6-ethoxy-3-methyl-6-oxo-2-sulfanyl-3-(sulfanylmethyl)hexanoic acid Traditional Name: 2-acetamido-5-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-6-ethoxy-6-keto-2-mercapto-3-(mercaptomethyl)-3-methyl-hexanoic acid Formula: C17H29N3O9S2 MolecularWeight: 483.55686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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