tert-butyl 1-[2-[[2-ethanoylsulfanyl-3-(4-nitrophenyl)propanoyl]amino]ethanoyl]-5-phenyl-pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[2-[[2-ethanoylsulfanyl-3-(4-nitrophenyl)propanoyl]amino]ethanoyl]-5-phenyl-pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[2-[[2-acetylsulfanyl-3-(4-nitrophenyl)propanoyl]amino]acetyl]-5-phenyl-pyrrolidine-2-carboxylate CAS Name: 1-[2-[[2-(acetylthio)-3-(4-nitrophenyl)-1-oxopropyl]amino]-1-oxoethyl]-5-phenyl-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-[[2-acetylsulfanyl-3-(4-nitrophenyl)propanoyl]amino]acetyl]-5-phenylpyrrolidine-2-carboxylate Traditional Name: 1-[2-[[2-(acetylthio)-3-(4-nitrophenyl)propanoyl]amino]acetyl]-5-phenyl-pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C28H33N3O7S MolecularWeight: 555.64252

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NCC(=O)N2C(CCC2C(=O)OC(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC(=O)SC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NCC(=O)N2C(CCC2C(=O)OC(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C28H33N3O7S/c1-18(32)39-24(16-19-10-12-21(13-11-19)31(36)37)26(34)29-17-25(33)30-22(20-8-6-5-7-9-20)14-15-23(30)27(35)38-28(2,3)4/h5-13,22-24H,14-17H2,1-4H3,(H,29,34)