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

Systemtic Name: prop-2-enyl (2S,4S)-2-[2-(piperazin-1-ylcarbonylamino)ethylcarbamoyl]-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: allyl (2S,4S)-2-[2-(piperazine-1-carbonylamino)ethylcarbamoyl]-4-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-2-[oxo-[2-[[oxo(1-piperazinyl)methyl]amino]ethylamino]methyl]-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S,4S)-2-[2-(piperazine-1-carbonylamino)ethylcarbamoyl]-4-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-[2-(piperazine-1-carbonylamino)ethylcarbamoyl]-4-(tritylthio)pyrrolidine-1-carboxylic acid allyl ester Formula: C35H41N5O4S MolecularWeight: 627.79614

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC(CC1C(=O)NCCNC(=O)N2CCNCC2)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)NCCNC(=O)N2CCNCC2)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C35H41N5O4S/c1-2-24-44-34(43)40-26-30(25-31(40)32(41)37-18-19-38-33(42)39-22-20-36-21-23-39)45-35(27-12-6-3-7-13-27,28-14-8-4-9-15-28)29-16-10-5-11-17-29/h2-17,30-31,36H,1,18-26H2,(H,37,41)(H,38,42)/t30-,31-/m0/s1