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(2R,3R)-1-phenyl-3-(phenylmethoxycarbonylamino)-2-pentanesulfonic acid

View entire compound with spectra: 1 MS (GC)

(2R,3R)-1-phenyl-3-(phenylmethoxycarbonylamino)-2-pentanesulfonic acid
SpectraBase Compound ID DM73R83AqCL
InChI InChI=1S/C25H33NO5S/c1-2-23(26-25(27)30-19-21-14-8-4-9-15-21)24(18-20-12-6-3-7-13-20)32(28,29)31-22-16-10-5-11-17-22/h3-4,6-9,12-15,22-24H,2,5,10-11,16-19H2,1H3,(H,26,27)/t23-,24-/m1/s1
InChIKey GHMMCYFRSCMZJA-DNQXCXABSA-N
Mol Weight 459.6 g/mol
Molecular Formula C25H33NO5S
Exact Mass 459.207944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 22MygTbG8Xj
Name (2R,3R)-1-phenyl-3-(phenylmethoxycarbonylamino)-2-pentanesulfonic acid
Alternate Name(s) (2R,3R)-3-(benzyloxycarbonylamino)-1-phenyl-pentane-2-sulfonic acid cyclohexyl ester cyclohexyl (2R,3R)-1-phenyl-3-(phenylmethoxycarbonylamino)pentane-2-sulfonate cyclohexyl (2R,3R)-3-(benzyloxycarbonylamino)-1-phenyl-pentane-2-sulfonate
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Formula C25H33NO5S
InChI InChI=1S/C25H33NO5S/c1-2-23(26-25(27)30-19-21-14-8-4-9-15-21)24(18-20-12-6-3-7-13-20)32(28,29)31-22-16-10-5-11-17-22/h3-4,6-9,12-15,22-24H,2,5,10-11,16-19H2,1H3,(H,26,27)/t23-,24-/m1/s1
InChIKey GHMMCYFRSCMZJA-DNQXCXABSA-N
Molecular Weight 459.601 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@@]([C@](S(OC1CCCCC1)(=O)=O)(Cc1ccccc1)[H])(CC)[H]
SPLASH splash10-0007-9770000000-629b2886d42f5bc1d695
Source of Spectrum C5-2003-1866-10
Wiley ID 1615851