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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3O9S2/c1-11(21)19-17(31,14(24)25)16(4,10-30)6-5-12(22)28-8-7-18-13(23)15(2,3)9-29-20(26)27/h30-31H,5-10H2,1-4H3,(H,18,23)(H,19,21)(H,24,25)