[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl] methanesulfonate

Systemtic Name: [3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl] methanesulfonate Openeye Name: [3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl] methanesulfonate CAS Name: methanesulfonic acid [2-hydroxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-phenylbutyl] ester IUPAC Name: [2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl] methanesulfonate Traditional Name: methanesulfonic acid [3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl] ester Formula: C16H25NO6S MolecularWeight: 359.4378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(COS(=O)(=O)C)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(COS(=O)(=O)C)O

InChI

InChI=1S/C16H25NO6S/c1-16(2,3)23-15(19)17-13(10-12-8-6-5-7-9-12)14(18)11-22-24(4,20)21/h5-9,13-14,18H,10-11H2,1-4H3,(H,17,19)