S-[(2R)-2-(2-methylpropanoylamino)-3-(2-nitrooxyethylamino)-3-oxidanylidene-propyl] 2-methylpropanethioate

Systemtic Name: S-[(2R)-2-(2-methylpropanoylamino)-3-(2-nitrooxyethylamino)-3-oxidanylidene-propyl] 2-methylpropanethioate Openeye Name: S-[(2R)-2-(2-methylpropanoylamino)-3-(2-nitrooxyethylamino)-3-oxo-propyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[(2R)-2-[(2-methyl-1-oxopropyl)amino]-3-(2-nitrooxyethylamino)-3-oxopropyl] ester IUPAC Name: S-[(2R)-2-(2-methylpropanoylamino)-3-(2-nitrooxyethylamino)-3-oxopropyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[(2R)-2-(isobutyrylamino)-3-keto-3-(2-nitrooxyethylamino)propyl] ester Formula: C13H23N3O6S MolecularWeight: 349.40322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(CSC(=O)C(C)C)C(=O)NCCO[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)N[C@@H](CSC(=O)C(C)C)C(=O)NCCO[N+](=O)[O-]

InChI

InChI=1S/C13H23N3O6S/c1-8(2)11(17)15-10(7-23-13(19)9(3)4)12(18)14-5-6-22-16(20)21/h8-10H,5-7H2,1-4H3,(H,14,18)(H,15,17)/t10-/m0/s1