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

Systemtic Name: 3-nitrooxypropyl 1-[3-[2-(cyclohexylcarbonylamino)propanoylsulfanyl]-2-methyl-propanoyl]pyrrolidine-2-carboxylate Openeye Name: 3-nitrooxypropyl 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 3-nitrooxypropyl ester IUPAC Name: 3-nitrooxypropyl 1-[3-[2-(cyclohexanecarbonylamino)propanoylsulfanyl]-2-methylpropanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[3-[2-(cyclohexanecarbonylamino)propanoylthio]-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid 3-nitrooxypropyl ester Formula: C22H35N3O8S MolecularWeight: 501.5936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O8S/c1-15(14-34-22(29)16(2)23-19(26)17-8-4-3-5-9-17)20(27)24-11-6-10-18(24)21(28)32-12-7-13-33-25(30)31/h15-18H,3-14H2,1-2H3,(H,23,26)