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(2S,3R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[oxo-(phenylmethoxyamino)methyl]-5-hexenoic acid tert-butyl ester
SpectraBase Compound ID 4U3054o4WI8
InChI InChI=1S/C23H34N2O6/c1-8-12-17(19(26)25-29-15-16-13-10-9-11-14-16)18(20(27)30-22(2,3)4)24-21(28)31-23(5,6)7/h8-11,13-14,17-18H,1,12,15H2,2-7H3,(H,24,28)(H,25,26)/t17-,18+/m1/s1
InChIKey XYXSKBBGRCHKLF-MSOLQXFVSA-N
Mol Weight 434.5 g/mol
Molecular Formula C23H34N2O6
Exact Mass 434.241687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ISfRRApHXdr
Name (2S,3R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[oxo-(phenylmethoxyamino)methyl]-5-hexenoic acid tert-butyl ester
CAS Registry Number 129956-69-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34N2O6
InChI InChI=1S/C23H34N2O6/c1-8-12-17(19(26)25-29-15-16-13-10-9-11-14-16)18(20(27)30-22(2,3)4)24-21(28)31-23(5,6)7/h8-11,13-14,17-18H,1,12,15H2,2-7H3,(H,24,28)(H,25,26)/t17-,18+/m1/s1
InChIKey XYXSKBBGRCHKLF-MSOLQXFVSA-N
Molecular Weight 434.533 g/mol
SMILES N(C([C@@]([C@@](C(OC(C)(C)C)=O)(NC(OC(C)(C)C)=O)[H])(CC=C)[H])=O)OCc1ccccc1
SPLASH splash10-00xr-0192000000-938c814742665be2158f
Source of Spectrum F-46-4745-19
Synonyms (2S,3R)-3-(benzoxycarbamoyl)-2-(tert-butoxycarbonylamino)hex-5-enoic acid tert-butyl ester tert-Butyl (2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbamoyl)hex-5-enoate tert-Butyl (2S,3R)-3-(benzyloxycarbamoyl)-2-(tert-butoxycarbonylamino)hex-5-enoate
Wiley ID 1382919