4-nitrooxybutyl (2R)-2-acetamido-3-[2-azanyl-5-(carbamothioylamino)pentanoyl]sulfanyl-propanoate hydrochloride

Systemtic Name: 4-nitrooxybutyl (2R)-2-acetamido-3-[2-azanyl-5-(carbamothioylamino)pentanoyl]sulfanyl-propanoate hydrochloride Openeye Name: 4-nitrooxybutyl (2R)-2-acetamido-3-[2-amino-5-(carbamothioylamino)pentanoyl]sulfanyl-propanoate hydrochloride CAS Name: (2R)-2-acetamido-3-[[2-amino-5-(carbamothioylamino)-1-oxopentyl]thio]propanoic acid 4-nitrooxybutyl ester hydrochloride IUPAC Name: 4-nitrooxybutyl (2R)-2-acetamido-3-[2-amino-5-(carbamothioylamino)pentanoyl]sulfanylpropanoate hydrochloride Traditional Name: (2R)-2-acetamido-3-[(2-amino-5-thioureido-pentanoyl)thio]propionic acid 4-nitrooxybutyl ester hydrochloride Formula: C15H28ClN5O7S2 MolecularWeight: 489.99512

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(=O)C(CCCNC(=S)N)N)C(=O)OCCCCO[N+](=O)[O-].Cl

Isomeric SMILES

CC(=O)N[C@@H](CSC(=O)C(CCCNC(=S)N)N)C(=O)OCCCCO[N+](=O)[O-].Cl

InChI

InChI=1S/C15H27N5O7S2.ClH/c1-10(21)19-12(13(22)26-7-2-3-8-27-20(24)25)9-29-14(23)11(16)5-4-6-18-15(17)28;/h11-12H,2-9,16H2,1H3,(H,19,21)(H3,17,18,28);1H/t11?,12-;/m0./s1