[(2S)-3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] methanesulfonate

Systemtic Name: [(2S)-3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] methanesulfonate Openeye Name: [(2S)-2-(tert-butoxycarbonylamino)-3-(4-methoxyphenyl)propyl] methanesulfonate CAS Name: methanesulfonic acid [(2S)-3-(4-methoxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl] ester IUPAC Name: [(2S)-3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] methanesulfonate Traditional Name: methanesulfonic acid [(2S)-2-(tert-butoxycarbonylamino)-3-(4-methoxyphenyl)propyl] ester Formula: C16H25NO6S MolecularWeight: 359.4378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OC)COS(=O)(=O)C

InChI

InChI=1S/C16H25NO6S/c1-16(2,3)23-15(18)17-13(11-22-24(5,19)20)10-12-6-8-14(21-4)9-7-12/h6-9,13H,10-11H2,1-5H3,(H,17,18)/t13-/m0/s1