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(2S)-2-(benzyloxycarbonylamino)-3-(4-hydroxy-3-iodo-phenyl)propionic acid benzyl ester
SpectraBase Compound ID KNer6pXWvRl
InChI InChI=1S/C24H22INO5/c25-20-13-19(11-12-22(20)27)14-21(23(28)30-15-17-7-3-1-4-8-17)26-24(29)31-16-18-9-5-2-6-10-18/h1-13,21,27H,14-16H2,(H,26,29)/t21-/m0/s1
InChIKey ADPQWPYMKISPDG-NRFANRHFSA-N
Mol Weight 531.35 g/mol
Molecular Formula C24H22INO5
Exact Mass 531.054268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3WDU3hn7nVT
Name (2S)-2-(benzyloxycarbonylamino)-3-(4-hydroxy-3-iodo-phenyl)propionic acid benzyl ester
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Formula C24H22INO5
InChI InChI=1S/C24H22INO5/c25-20-13-19(11-12-22(20)27)14-21(23(28)30-15-17-7-3-1-4-8-17)26-24(29)31-16-18-9-5-2-6-10-18/h1-13,21,27H,14-16H2,(H,26,29)/t21-/m0/s1
InChIKey ADPQWPYMKISPDG-NRFANRHFSA-N
Molecular Weight 531.346 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@@](Cc1ccc(c(c1)I)O)(C(OCc1ccccc1)=O)[H]
SPLASH splash10-001l-8098000000-6b125d521f4af58ea8b8
Source of Spectrum F-70-7361-30
Synonyms (2S)-3-(4-hydroxy-3-iodophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid (phenylmethyl) ester (phenylmethyl) (2S)-3-(3-iodanyl-4-oxidanyl-phenyl)-2-(phenylmethoxycarbonylamino)propanoate benzyl (2S)-3-(4-hydroxy-3-iodophenyl)-2-(phenylmethoxycarbonylamino)propanoate
Wiley ID 1597503