S-[(2R,5S)-5-ethanoylsulfanyl-1,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl] ethanethioate

Systemtic Name: S-[(2R,5S)-5-ethanoylsulfanyl-1,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl] ethanethioate Openeye Name: S-[(1R,4S)-4-acetylsulfanyl-5-(tert-butoxycarbonylamino)-1-[(tert-butoxycarbonylamino)methyl]pentyl] ethanethioate CAS Name: ethanethioic acid S-[(2R,5S)-5-(acetylthio)-1,6-bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexan-2-yl] ester IUPAC Name: S-[(2R,5S)-5-acetylsulfanyl-1,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[(1R,4S)-4-(acetylthio)-5-(tert-butoxycarbonylamino)-1-[(tert-butoxycarbonylamino)methyl]pentyl] ester Formula: C20H36N2O6S2 MolecularWeight: 464.63964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CCC(CNC(=O)OC(C)(C)C)SC(=O)C)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)S[C@H](CC[C@@H](CNC(=O)OC(C)(C)C)SC(=O)C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C20H36N2O6S2/c1-13(23)29-15(11-21-17(25)27-19(3,4)5)9-10-16(30-14(2)24)12-22-18(26)28-20(6,7)8/h15-16H,9-12H2,1-8H3,(H,21,25)(H,22,26)/t15-,16+