[(3S,4S,7S)-4-azido-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-methylsulfonyloxy-3-phenylmethoxy-octyl] methanesulfonate

Systemtic Name: [(3S,4S,7S)-4-azido-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-methylsulfonyloxy-3-phenylmethoxy-octyl] methanesulfonate Openeye Name: [(3S,4S,7S)-4-azido-3-benzyloxy-7-(tert-butoxycarbonylamino)-8-methylsulfonyloxy-octyl] methanesulfonate CAS Name: methanesulfonic acid [(3S,4S,7S)-4-azido-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-8-methylsulfonyloxy-3-phenylmethoxyoctyl] ester IUPAC Name: [(3S,4S,7S)-4-azido-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-methylsulfonyloxy-3-phenylmethoxyoctyl] methanesulfonate Traditional Name: methanesulfonic acid [(3S,4S,7S)-4-azido-3-benzoxy-7-(tert-butoxycarbonylamino)-8-methylsulfonyloxy-octyl] ester Formula: C22H36N4O9S2 MolecularWeight: 564.67264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(C(CCOS(=O)(=O)C)OCC1=CC=CC=C1)N=[N+]=[N-])COS(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC[C@@H]([C@H](CCOS(=O)(=O)C)OCC1=CC=CC=C1)N=[N+]=[N-])COS(=O)(=O)C

InChI

InChI=1S/C22H36N4O9S2/c1-22(2,3)35-21(27)24-18(16-34-37(5,30)31)11-12-19(25-26-23)20(13-14-33-36(4,28)29)32-15-17-9-7-6-8-10-17/h6-10,18-20H,11-16H2,1-5H3,(H,24,27)/t18-,19-,20-/m0/s1