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

Systemtic Name: [(2S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-6-phenylmethoxy-hexyl] methanesulfonate Openeye Name: [(2S,5R)-6-benzyloxy-5-(tert-butoxycarbonylamino)-2-hydroxy-hexyl] methanesulfonate CAS Name: methanesulfonic acid [(2S,5R)-2-hydroxy-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-phenylmethoxyhexyl] ester IUPAC Name: [(2S,5R)-2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylmethoxyhexyl] methanesulfonate Traditional Name: methanesulfonic acid [(2S,5R)-6-benzoxy-5-(tert-butoxycarbonylamino)-2-hydroxy-hexyl] ester Formula: C19H31NO7S MolecularWeight: 417.51694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(COS(=O)(=O)C)O)COCC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C19H31NO7S/c1-19(2,3)27-18(22)20-16(10-11-17(21)14-26-28(4,23)24)13-25-12-15-8-6-5-7-9-15/h5-9,16-17,21H,10-14H2,1-4H3,(H,20,22)/t16-,17+/m1/s1