2-(2-nitrooxyethylsulfanyl)ethyl 1-[6-azanyl-2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]hexanoyl]pyrrolidine-2-carboxylate

Systemtic Name: 2-(2-nitrooxyethylsulfanyl)ethyl 1-[6-azanyl-2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]hexanoyl]pyrrolidine-2-carboxylate Openeye Name: 2-(2-nitrooxyethylsulfanyl)ethyl 1-[6-amino-2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]hexanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[6-amino-2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxohexyl]-2-pyrrolidinecarboxylic acid 2-(2-nitrooxyethylthio)ethyl ester IUPAC Name: 2-(2-nitrooxyethylsulfanyl)ethyl 1-[6-amino-2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]hexanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[6-amino-2-[(1-carbethoxy-3-phenyl-propyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid 2-(2-nitrooxyethylthio)ethyl ester Formula: C27H42N4O8S MolecularWeight: 582.70938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H42N4O8S/c1-2-37-26(33)23(14-13-21-9-4-3-5-10-21)29-22(11-6-7-15-28)25(32)30-16-8-12-24(30)27(34)38-17-19-40-20-18-39-31(35)36/h3-5,9-10,22-24,29H,2,6-8,11-20,28H2,1H3