tert-butyl (2S,4S)-2-(3-azanylprop-1-ynyl)-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,4S)-2-(3-azanylprop-1-ynyl)-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,4S)-2-(3-aminoprop-1-ynyl)-4-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-2-(3-aminoprop-1-ynyl)-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4S)-2-(3-aminoprop-1-ynyl)-4-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-(3-aminoprop-1-ynyl)-4-(tritylthio)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C31H34N2O2S MolecularWeight: 498.67886

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H34N2O2S/c1-30(2,3)35-29(34)33-23-28(22-27(33)20-13-21-32)36-31(24-14-7-4-8-15-24,25-16-9-5-10-17-25)26-18-11-6-12-19-26/h4-12,14-19,27-28H,21-23,32H2,1-3H3/t27-,28+/m1/s1