prop-2-enyl (2S,4S)-2-[2-(dimethylcarbamoylamino)ethylcarbamoyl]-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: prop-2-enyl (2S,4S)-2-[2-(dimethylcarbamoylamino)ethylcarbamoyl]-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: allyl (2S,4S)-2-[2-(dimethylcarbamoylamino)ethylcarbamoyl]-4-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-2-[[2-[[dimethylamino(oxo)methyl]amino]ethylamino]-oxomethyl]-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S,4S)-2-[2-(dimethylcarbamoylamino)ethylcarbamoyl]-4-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-[2-(dimethylcarbamoylamino)ethylcarbamoyl]-4-(tritylthio)pyrrolidine-1-carboxylic acid allyl ester Formula: C33H38N4O4S MolecularWeight: 586.74422

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)NCCNC(=O)C1CC(CN1C(=O)OCC=C)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN(C)C(=O)NCCNC(=O)[C@@H]1C[C@@H](CN1C(=O)OCC=C)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C33H38N4O4S/c1-4-22-41-32(40)37-24-28(23-29(37)30(38)34-20-21-35-31(39)36(2)3)42-33(25-14-8-5-9-15-25,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h4-19,28-29H,1,20-24H2,2-3H3,(H,34,38)(H,35,39)/t28-,29-/m0/s1