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

Systemtic Name: tert-butyl 1-[2-[[2-ethanoylsulfanyl-3-(4-phenylmethoxycarbonyloxyphenyl)propanoyl]amino]ethanoyl]-5-phenyl-pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[2-[[2-acetylsulfanyl-3-(4-benzyloxycarbonyloxyphenyl)propanoyl]amino]acetyl]-5-phenyl-pyrrolidine-2-carboxylate CAS Name: 1-[2-[[2-(acetylthio)-1-oxo-3-(4-phenylmethoxycarbonyloxyphenyl)propyl]amino]-1-oxoethyl]-5-phenyl-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-[[2-acetylsulfanyl-3-(4-phenylmethoxycarbonyloxyphenyl)propanoyl]amino]acetyl]-5-phenylpyrrolidine-2-carboxylate Traditional Name: 1-[2-[[2-(acetylthio)-3-(4-carbobenzoxyoxyphenyl)propanoyl]amino]acetyl]-5-phenyl-pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C36H40N2O8S MolecularWeight: 660.7764

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC1=CC=C(C=C1)OC(=O)OCC2=CC=CC=C2)C(=O)NCC(=O)N3C(CCC3C(=O)OC(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC(=O)SC(CC1=CC=C(C=C1)OC(=O)OCC2=CC=CC=C2)C(=O)NCC(=O)N3C(CCC3C(=O)OC(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C36H40N2O8S/c1-24(39)47-31(21-25-15-17-28(18-16-25)45-35(43)44-23-26-11-7-5-8-12-26)33(41)37-22-32(40)38-29(27-13-9-6-10-14-27)19-20-30(38)34(42)46-36(2,3)4/h5-18,29-31H,19-23H2,1-4H3,(H,37,41)