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(2S,4S,5S)-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenyl-2-[(E)-2-phenylethenyl]hexanoic acid
SpectraBase Compound ID bnTUIuTgZm
InChI InChI=1S/C25H31NO5/c1-25(2,3)31-24(30)26-21(16-19-12-8-5-9-13-19)22(27)17-20(23(28)29)15-14-18-10-6-4-7-11-18/h4-15,20-22,27H,16-17H2,1-3H3,(H,26,30)(H,28,29)/b15-14+/t20-,21+,22+/m1/s1
InChIKey SVKSHLJJWKONBZ-GBFBBKFMSA-N
Mol Weight 425.53 g/mol
Molecular Formula C25H31NO5
Exact Mass 425.220223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KiwVX7cJQV2
Name (2S,4S,5S)-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenyl-2-[(E)-2-phenylethenyl]hexanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31NO5
InChI InChI=1S/C25H31NO5/c1-25(2,3)31-24(30)26-21(16-19-12-8-5-9-13-19)22(27)17-20(23(28)29)15-14-18-10-6-4-7-11-18/h4-15,20-22,27H,16-17H2,1-3H3,(H,26,30)(H,28,29)/b15-14+/t20-,21+,22+/m1/s1
InChIKey SVKSHLJJWKONBZ-GBFBBKFMSA-N
Molecular Weight 425.525 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@]([C@](C[C@](C(=O)O)(\C=C\c1ccccc1)[H])(O)[H])(Cc1ccccc1)[H]
SPLASH splash10-052f-9001100000-0bc8841ef698781aa660
Source of Spectrum J-59-3768-54
Synonyms (2S,4S,5S)-4-hydroxy-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-phenyl-2-[(E)-2-phenylethenyl]hexanoic acid (2S,4S,5S)-5-(tert-butoxycarbonylamino)-4-hydroxy-6-phenyl-2-[(E)-styryl]hexanoic acid (2S,4S,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanyl-6-phenyl-2-[(E)-2-phenylethenyl]hexanoic acid (E,2S)-2-[(2S,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]-4-phenyl-but-3-enoic acid
Wiley ID 1379676