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

Systemtic Name: prop-2-enyl (2S,4S)-2-[2-(piperazin-1-ylcarbonylamino)ethylcarbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: allyl (2S,4S)-2-[2-(piperazine-1-carbonylamino)ethylcarbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-mercapto-2-[oxo-[2-[[oxo(1-piperazinyl)methyl]amino]ethylamino]methyl]-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S,4S)-2-[2-(piperazine-1-carbonylamino)ethylcarbamoyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-mercapto-2-[2-(piperazine-1-carbonylamino)ethylcarbamoyl]pyrrolidine-1-carboxylic acid allyl ester Formula: C16H27N5O4S MolecularWeight: 385.48168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC(CC1C(=O)NCCNC(=O)N2CCNCC2)S

Isomeric SMILES

C=CCOC(=O)N1C[C@H](C[C@H]1C(=O)NCCNC(=O)N2CCNCC2)S

InChI

InChI=1S/C16H27N5O4S/c1-2-9-25-16(24)21-11-12(26)10-13(21)14(22)18-3-4-19-15(23)20-7-5-17-6-8-20/h2,12-13,17,26H,1,3-11H2,(H,18,22)(H,19,23)/t12-,13-/m0/s1