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(3R,4R)-4-(benzyloxycarbonylamino)heptane-3-sulfonic acid cyclohexyl ester
SpectraBase Compound ID I4KMKXBp7Ii
InChI InChI=1S/C21H33NO5S/c1-3-11-19(22-21(23)26-16-17-12-7-5-8-13-17)20(4-2)28(24,25)27-18-14-9-6-10-15-18/h5,7-8,12-13,18-20H,3-4,6,9-11,14-16H2,1-2H3,(H,22,23)/t19-,20-/m1/s1
InChIKey GLCKTUDOLAJCTM-WOJBJXKFSA-N
Mol Weight 411.6 g/mol
Molecular Formula C21H33NO5S
Exact Mass 411.207944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BjS19F2youz
Name (3R,4R)-4-(benzyloxycarbonylamino)heptane-3-sulfonic acid cyclohexyl ester
Alternate Name(s) (3R,4R)-4-(phenylmethoxycarbonylamino)-3-heptanesulfonic acid cyclohexyl (3R,4R)-4-(benzyloxycarbonylamino)heptane-3-sulfonate cyclohexyl (3R,4R)-4-(phenylmethoxycarbonylamino)heptane-3-sulfonate
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Formula C21H33NO5S
InChI InChI=1S/C21H33NO5S/c1-3-11-19(22-21(23)26-16-17-12-7-5-8-13-17)20(4-2)28(24,25)27-18-14-9-6-10-15-18/h5,7-8,12-13,18-20H,3-4,6,9-11,14-16H2,1-2H3,(H,22,23)/t19-,20-/m1/s1
InChIKey GLCKTUDOLAJCTM-WOJBJXKFSA-N
Molecular Weight 411.557 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@@]([C@](S(OC1CCCCC1)(=O)=O)(CC)[H])(CCC)[H]
SPLASH splash10-0006-9842000000-c0f7847026b0d6b634de
Source of Spectrum C5-2003-1867-10
Wiley ID 1615848