[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-methylsulfonyloxy-hexyl] methanesulfonate

Systemtic Name: [(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-methylsulfonyloxy-hexyl] methanesulfonate Openeye Name: [(5S)-5-(tert-butoxycarbonylamino)-6-methylsulfonyloxy-hexyl] methanesulfonate CAS Name: methanesulfonic acid [(5S)-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-methylsulfonyloxyhexyl] ester IUPAC Name: [(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-methylsulfonyloxyhexyl] methanesulfonate Traditional Name: methanesulfonic acid [(5S)-5-(tert-butoxycarbonylamino)-6-methylsulfonyloxy-hexyl] ester Formula: C13H27NO8S2 MolecularWeight: 389.48538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCOS(=O)(=O)C)COS(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCCOS(=O)(=O)C)COS(=O)(=O)C

InChI

InChI=1S/C13H27NO8S2/c1-13(2,3)22-12(15)14-11(10-21-24(5,18)19)8-6-7-9-20-23(4,16)17/h11H,6-10H2,1-5H3,(H,14,15)/t11-/m0/s1