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

Systemtic Name: 4-nitrooxybutyl (2R)-2-acetamido-3-[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]sulfanyl-propanoate Openeye Name: 4-nitrooxybutyl (2R)-2-acetamido-3-(2-amino-5-guanidino-pentanoyl)sulfanyl-propanoate CAS Name: (2R)-2-acetamido-3-[[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]thio]propanoic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl (2R)-2-acetamido-3-[2-amino-5-(diaminomethylideneamino)pentanoyl]sulfanylpropanoate Traditional Name: (2R)-2-acetamido-3-[(2-amino-5-guanidino-pentanoyl)thio]propionic acid 4-nitrooxybutyl ester Formula: C15H28N6O7S MolecularWeight: 436.48382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H28N6O7S/c1-10(22)20-12(13(23)27-7-2-3-8-28-21(25)26)9-29-14(24)11(16)5-4-6-19-15(17)18/h11-12H,2-9,16H2,1H3,(H,20,22)(H4,17,18,19)/t11?,12-/m0/s1