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(4S)-4-(benzyloxycarbonylamino)-4-phenyl-butane-1-sulfonic acid cyclohexyl ester
SpectraBase Compound ID KhkIa3qUNfL
InChI InChI=1S/C24H31NO5S/c26-24(29-19-20-11-4-1-5-12-20)25-23(21-13-6-2-7-14-21)17-10-18-31(27,28)30-22-15-8-3-9-16-22/h1-2,4-7,11-14,22-23H,3,8-10,15-19H2,(H,25,26)/t23-/m0/s1
InChIKey XNVSGFAPFPSOBW-QHCPKHFHSA-N
Mol Weight 445.57 g/mol
Molecular Formula C24H31NO5S
Exact Mass 445.192294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EpOV5hNDdrm
Name (4S)-4-(benzyloxycarbonylamino)-4-phenyl-butane-1-sulfonic acid cyclohexyl ester
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Formula C24H31NO5S
InChI InChI=1S/C24H31NO5S/c26-24(29-19-20-11-4-1-5-12-20)25-23(21-13-6-2-7-14-21)17-10-18-31(27,28)30-22-15-8-3-9-16-22/h1-2,4-7,11-14,22-23H,3,8-10,15-19H2,(H,25,26)/t23-/m0/s1
InChIKey XNVSGFAPFPSOBW-QHCPKHFHSA-N
Molecular Weight 445.574 g/mol
SMILES N([C@@](CCCS(=O)(=O)OC1CCCCC1)(c1ccccc1)[H])C(=O)OCc1ccccc1
SPLASH splash10-001i-9010000000-e9c5ca89f9be00daebaf
Source of Spectrum K1-0-1280-5
Synonyms (4S)-4-phenyl-4-(phenylmethoxycarbonylamino)-1-butanesulfonic acid cyclohexyl (4S)-4-(benzyloxycarbonylamino)-4-phenyl-butane-1-sulfonate cyclohexyl (4S)-4-phenyl-4-(phenylmethoxycarbonylamino)butane-1-sulfonate
Wiley ID 1588502