tert-butyl (2S,4S)-2-[3-(prop-2-enoxycarbonylamino)prop-1-ynyl]-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,4S)-2-[3-(prop-2-enoxycarbonylamino)prop-1-ynyl]-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,4S)-2-[3-(allyloxycarbonylamino)prop-1-ynyl]-4-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-2-[3-[[oxo(prop-2-enoxy)methyl]amino]prop-1-ynyl]-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4S)-2-[3-(prop-2-enoxycarbonylamino)prop-1-ynyl]-4-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-[3-(allyloxycarbonylamino)prop-1-ynyl]-4-(tritylthio)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C35H38N2O4S MolecularWeight: 582.75222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C#CCNC(=O)OCC=C)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C#CCNC(=O)OCC=C)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C35H38N2O4S/c1-5-24-40-32(38)36-23-15-22-30-25-31(26-37(30)33(39)41-34(2,3)4)42-35(27-16-9-6-10-17-27,28-18-11-7-12-19-28)29-20-13-8-14-21-29/h5-14,16-21,30-31H,1,23-26H2,2-4H3,(H,36,38)/t30-,31+/m1/s1