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Isopropyl (1S, 2R)-2-[(Benzyloxycarbonyl)amino]-3-methyl-1-phenylbutane-1-sulfonate
SpectraBase Compound ID 2pBfbOtbO6H
InChI InChI=1S/C22H29NO5S/c1-16(2)20(23-22(24)27-15-18-11-7-5-8-12-18)21(19-13-9-6-10-14-19)29(25,26)28-17(3)4/h5-14,16-17,20-21H,15H2,1-4H3,(H,23,24)/t20-,21+/m1/s1
InChIKey ULPUHECAYVJNQY-RTWAWAEBSA-N
Mol Weight 419.54 g/mol
Molecular Formula C22H29NO5S
Exact Mass 419.176644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ws8egC113p
Name Isopropyl (1S, 2R)-2-[(Benzyloxycarbonyl)amino]-3-methyl-1-phenylbutane-1-sulfonate
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Formula C22H29NO5S
InChI InChI=1S/C22H29NO5S/c1-16(2)20(23-22(24)27-15-18-11-7-5-8-12-18)21(19-13-9-6-10-14-19)29(25,26)28-17(3)4/h5-14,16-17,20-21H,15H2,1-4H3,(H,23,24)/t20-,21+/m1/s1
InChIKey ULPUHECAYVJNQY-RTWAWAEBSA-N
Molecular Weight 419.536 g/mol
SMILES N([C@@]([C@@](S(OC(C)C)(=O)=O)(c1ccccc1)[H])(C(C)C)[H])C(=O)OCc1ccccc1
SPLASH splash10-0006-9230000000-44ee35c6c54fd9f01013
Source of Spectrum F4-41-1687-5d
Synonyms (1S,2R)-3-methyl-1-phenyl-2-(phenylmethoxycarbonylamino)-1-butanesulfonic acid isopropyl (1S,2R)-2-(benzyloxycarbonylamino)-3-methyl-1-phenyl-butane-1-sulfonate Propan-2-yl (1S,2R)-3-methyl-1-phenyl-2-(phenylmethoxycarbonylamino)butane-1-sulfonate
Wiley ID 1672387