[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,1,1-tris(oxidanyl)-3-phenylmethoxy-octadecan-4-yl] methanesulfonate

Systemtic Name: [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,1,1-tris(oxidanyl)-3-phenylmethoxy-octadecan-4-yl] methanesulfonate Openeye Name: 1-[1-benzyloxy-2-(tert-butoxycarbonylamino)-3,3,3-trihydroxy-propyl]pentadecyl methanesulfonate CAS Name: methanesulfonic acid [1,1,1-trihydroxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylmethoxyoctadecan-4-yl] ester IUPAC Name: [1,1,1-trihydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxyoctadecan-4-yl] methanesulfonate Traditional Name: methanesulfonic acid 1-[1-benzoxy-2-(tert-butoxycarbonylamino)-3,3,3-trihydroxy-propyl]pentadecyl ester Formula: C31H55NO9S MolecularWeight: 617.8347

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(C(C(O)(O)O)NC(=O)OC(C)(C)C)OCC1=CC=CC=C1)OS(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCC(C(C(C(O)(O)O)NC(=O)OC(C)(C)C)OCC1=CC=CC=C1)OS(=O)(=O)C

InChI

InChI=1S/C31H55NO9S/c1-6-7-8-9-10-11-12-13-14-15-16-20-23-26(41-42(5,37)38)27(39-24-25-21-18-17-19-22-25)28(31(34,35)36)32-29(33)40-30(2,3)4/h17-19,21-22,26-28,34-36H,6-16,20,23-24H2,1-5H3,(H,32,33)