2-(2-nitrooxyethylsulfanyl)ethyl 1-[3-[2-(cyclohexylcarbonylamino)propanoylsulfanyl]-2-methyl-propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: 2-(2-nitrooxyethylsulfanyl)ethyl 1-[3-[2-(cyclohexylcarbonylamino)propanoylsulfanyl]-2-methyl-propanoyl]pyrrolidine-2-carboxylate Openeye Name: 2-(2-nitrooxyethylsulfanyl)ethyl 1-[3-[2-(cyclohexanecarbonylamino)propanoylsulfanyl]-2-methyl-propanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[3-[[2-[[cyclohexyl(oxo)methyl]amino]-1-oxopropyl]thio]-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid 2-(2-nitrooxyethylthio)ethyl ester IUPAC Name: 2-(2-nitrooxyethylsulfanyl)ethyl 1-[3-[2-(cyclohexanecarbonylamino)propanoylsulfanyl]-2-methylpropanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[3-[2-(cyclohexanecarbonylamino)propanoylthio]-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid 2-(2-nitrooxyethylthio)ethyl ester Formula: C23H37N3O8S2 MolecularWeight: 547.68518

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C(C)NC(=O)C1CCCCC1)C(=O)N2CCCC2C(=O)OCCSCCO[N+](=O)[O-]

Isomeric SMILES

CC(CSC(=O)C(C)NC(=O)C1CCCCC1)C(=O)N2CCCC2C(=O)OCCSCCO[N+](=O)[O-]

InChI

InChI=1S/C23H37N3O8S2/c1-16(15-36-23(30)17(2)24-20(27)18-7-4-3-5-8-18)21(28)25-10-6-9-19(25)22(29)33-11-13-35-14-12-34-26(31)32/h16-19H,3-15H2,1-2H3,(H,24,27)