4-nitrooxybutyl (2R)-2-acetamido-3-(2-azanylpentanoylsulfanyl)propanoate

Systemtic Name: 4-nitrooxybutyl (2R)-2-acetamido-3-(2-azanylpentanoylsulfanyl)propanoate Openeye Name: 4-nitrooxybutyl (2R)-2-acetamido-3-(2-aminopentanoylsulfanyl)propanoate CAS Name: (2R)-2-acetamido-3-[(2-amino-1-oxopentyl)thio]propanoic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl (2R)-2-acetamido-3-(2-aminopentanoylsulfanyl)propanoate Traditional Name: (2R)-2-acetamido-3-(2-aminopentanoylthio)propionic acid 4-nitrooxybutyl ester Formula: C14H25N3O7S MolecularWeight: 379.4292

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)SCC(C(=O)OCCCCO[N+](=O)[O-])NC(=O)C)N

Isomeric SMILES

CCCC(C(=O)SC[C@@H](C(=O)OCCCCO[N+](=O)[O-])NC(=O)C)N

InChI

InChI=1S/C14H25N3O7S/c1-3-6-11(15)14(20)25-9-12(16-10(2)18)13(19)23-7-4-5-8-24-17(21)22/h11-12H,3-9,15H2,1-2H3,(H,16,18)/t11?,12-/m0/s1