tert-butyl 5-ethanoyl-3-ethenyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethylsulfanyl)ethyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 5-ethanoyl-3-ethenyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethylsulfanyl)ethyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 5-acetyl-2-[2-benzylsulfanyl-1-(tert-butoxycarbonylamino)ethyl]-3-vinyl-pyrrolidine-1-carboxylate CAS Name: 5-acetyl-3-ethenyl-2-[1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(phenylmethylthio)ethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-acetyl-2-[2-benzylsulfanyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-ethenylpyrrolidine-1-carboxylate Traditional Name: 5-acetyl-2-[2-(benzylthio)-1-(tert-butoxycarbonylamino)ethyl]-3-vinyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C27H40N2O5S MolecularWeight: 504.6819

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC(C(N1C(=O)OC(C)(C)C)C(CSCC2=CC=CC=C2)NC(=O)OC(C)(C)C)C=C

Isomeric SMILES

CC(=O)C1CC(C(N1C(=O)OC(C)(C)C)C(CSCC2=CC=CC=C2)NC(=O)OC(C)(C)C)C=C

InChI

InChI=1S/C27H40N2O5S/c1-9-20-15-22(18(2)30)29(25(32)34-27(6,7)8)23(20)21(28-24(31)33-26(3,4)5)17-35-16-19-13-11-10-12-14-19/h9-14,20-23H,1,15-17H2,2-8H3,(H,28,31)