4-nitrooxybutyl (2R)-2-acetamido-3-[2-[1-(aminomethyl)cyclohexyl]ethanoylsulfanyl]propanoate

Systemtic Name: 4-nitrooxybutyl (2R)-2-acetamido-3-[2-[1-(aminomethyl)cyclohexyl]ethanoylsulfanyl]propanoate Openeye Name: 4-nitrooxybutyl (2R)-2-acetamido-3-[2-[1-(aminomethyl)cyclohexyl]acetyl]sulfanyl-propanoate CAS Name: (2R)-2-acetamido-3-[[2-[1-(aminomethyl)cyclohexyl]-1-oxoethyl]thio]propanoic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl (2R)-2-acetamido-3-[2-[1-(aminomethyl)cyclohexyl]acetyl]sulfanylpropanoate Traditional Name: (2R)-2-acetamido-3-[[2-[1-(aminomethyl)cyclohexyl]acetyl]thio]propionic acid 4-nitrooxybutyl ester Formula: C18H31N3O7S MolecularWeight: 433.51964

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(=O)CC1(CCCCC1)CN)C(=O)OCCCCO[N+](=O)[O-]

Isomeric SMILES

CC(=O)N[C@@H](CSC(=O)CC1(CCCCC1)CN)C(=O)OCCCCO[N+](=O)[O-]

InChI

InChI=1S/C18H31N3O7S/c1-14(22)20-15(17(24)27-9-5-6-10-28-21(25)26)12-29-16(23)11-18(13-19)7-3-2-4-8-18/h15H,2-13,19H2,1H3,(H,20,22)/t15-/m0/s1