[(2S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-butyl] 4-methylbenzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C)NC(=O)OC(C)(C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]([C@H](C)NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C16H25NO6S/c1-11-6-8-13(9-7-11)24(20,21)22-10-14(18)12(2)17-15(19)23-16(3,4)5/h6-9,12,14,18H,10H2,1-5H3,(H,17,19)/t12-,14+/m0/s1