[(2R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-6-phenylmethoxy-4-(phenylsulfonyl)hexyl] methanesulfonate

Systemtic Name: [(2R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-6-phenylmethoxy-4-(phenylsulfonyl)hexyl] methanesulfonate Openeye Name: [(2R,5R)-4-(benzenesulfonyl)-6-benzyloxy-5-(tert-butoxycarbonylamino)-2-hydroxy-hexyl] methanesulfonate CAS Name: methanesulfonic acid [(2R,5R)-4-(benzenesulfonyl)-2-hydroxy-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-phenylmethoxyhexyl] ester IUPAC Name: [(2R,5R)-4-(benzenesulfonyl)-2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylmethoxyhexyl] methanesulfonate Traditional Name: methanesulfonic acid [(2R,5R)-6-benzoxy-4-besyl-5-(tert-butoxycarbonylamino)-2-hydroxy-hexyl] ester Formula: C25H35NO9S2 MolecularWeight: 557.6767

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(COCC1=CC=CC=C1)C(CC(COS(=O)(=O)C)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](COCC1=CC=CC=C1)C(C[C@H](COS(=O)(=O)C)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C25H35NO9S2/c1-25(2,3)35-24(28)26-22(18-33-16-19-11-7-5-8-12-19)23(15-20(27)17-34-36(4,29)30)37(31,32)21-13-9-6-10-14-21/h5-14,20,22-23,27H,15-18H2,1-4H3,(H,26,28)/t20-,22-,23?/m1/s1