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4-(Methylsulfinyl)-2-[[(phenylmethoxy)carbonyl]amino]-(2S)-butanoic acid
SpectraBase Compound ID 1wnhiojekJT
InChI InChI=1S/C13H17NO5S/c1-20(18)8-7-11(12(15)16)14-13(17)19-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,17)(H,15,16)/t11-,20?/m0/s1
InChIKey XCLPJMPEFPFRIV-ZOZMEPSFSA-N
Mol Weight 299.34 g/mol
Molecular Formula C13H17NO5S
Exact Mass 299.082744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IIh5TWrjQ8P
Name 4-(Methylsulfinyl)-2-[[(phenylmethoxy)carbonyl]amino]-(2S)-butanoic acid
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Formula C13H17NO5S
InChI InChI=1S/C13H17NO5S/c1-20(18)8-7-11(12(15)16)14-13(17)19-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,17)(H,15,16)/t11-,20?/m0/s1
InChIKey XCLPJMPEFPFRIV-ZOZMEPSFSA-N
Molecular Weight 299.341 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@](C(=O)O)(CCS(=O)C)[H]
SPLASH splash10-054o-9400000000-4c10be8dd7862b7387bd
Source of Spectrum F-56-3630-21
Synonyms (2S)-2-{[(benzyloxy)carbonyl]amino}-4-(methylsulfinyl)butanoic acid (2S)-2-(benzyloxycarbonylamino)-4-methylsulfinyl-butanoic acid (2S)-4-methylsulfinyl-2-(phenylmethoxycarbonylamino)butanoic acid
Wiley ID 857207