ethyl (2R)-3-(2-acetamido-3-methyl-pentanoyl)sulfanyl-2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]propanoate

Systemtic Name: ethyl (2R)-3-(2-acetamido-3-methyl-pentanoyl)sulfanyl-2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]propanoate Openeye Name: ethyl (2R)-3-(2-acetamido-3-methyl-pentanoyl)sulfanyl-2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]propanoate CAS Name: (2R)-3-[(2-acetamido-3-methyl-1-oxopentyl)thio]-2-[(2,2-dimethyl-3-nitrooxy-1-oxopropyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-3-(2-acetamido-3-methylpentanoyl)sulfanyl-2-[(2,2-dimethyl-3-nitrooxypropanoyl)amino]propanoate Traditional Name: (2R)-3-[(2-acetamido-3-methyl-pentanoyl)thio]-2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]propionic acid ethyl ester Formula: C18H31N3O8S MolecularWeight: 449.51904

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)SCC(C(=O)OCC)NC(=O)C(C)(C)CO[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CCC(C)C(C(=O)SC[C@@H](C(=O)OCC)NC(=O)C(C)(C)CO[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C18H31N3O8S/c1-7-11(3)14(19-12(4)22)16(24)30-9-13(15(23)28-8-2)20-17(25)18(5,6)10-29-21(26)27/h11,13-14H,7-10H2,1-6H3,(H,19,22)(H,20,25)/t11?,13-,14?/m0/s1