2-(2-nitrooxyethylsulfanyl)ethyl 1-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: 2-(2-nitrooxyethylsulfanyl)ethyl 1-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylate Openeye Name: 2-(2-nitrooxyethylsulfanyl)ethyl 1-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid 2-(2-nitrooxyethylthio)ethyl ester IUPAC Name: 2-(2-nitrooxyethylsulfanyl)ethyl 1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]pyrrolidine-2-carboxylic acid 2-(2-nitrooxyethylthio)ethyl ester Formula: C24H35N3O8S MolecularWeight: 525.615

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)OCCSCCO[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)OCCSCCO[N+](=O)[O-]

InChI

InChI=1S/C24H35N3O8S/c1-3-33-23(29)20(12-11-19-8-5-4-6-9-19)25-18(2)22(28)26-13-7-10-21(26)24(30)34-14-16-36-17-15-35-27(31)32/h4-6,8-9,18,20-21,25H,3,7,10-17H2,1-2H3