prop-2-enyl (2S,4S)-2-(2-piperazin-1-ylethylcarbamoyl)-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: prop-2-enyl (2S,4S)-2-(2-piperazin-1-ylethylcarbamoyl)-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: allyl (2S,4S)-2-(2-piperazin-1-ylethylcarbamoyl)-4-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-2-[oxo-[2-(1-piperazinyl)ethylamino]methyl]-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S,4S)-2-(2-piperazin-1-ylethylcarbamoyl)-4-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-(2-piperazinoethylcarbamoyl)-4-(tritylthio)pyrrolidine-1-carboxylic acid allyl ester Formula: C34H40N4O3S MolecularWeight: 584.7714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC(CC1C(=O)NCCN2CCNCC2)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C=CCOC(=O)N1C[C@H](C[C@H]1C(=O)NCCN2CCNCC2)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C34H40N4O3S/c1-2-24-41-33(40)38-26-30(25-31(38)32(39)36-20-23-37-21-18-35-19-22-37)42-34(27-12-6-3-7-13-27,28-14-8-4-9-15-28)29-16-10-5-11-17-29/h2-17,30-31,35H,1,18-26H2,(H,36,39)/t30-,31-/m0/s1