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Benzyloxycarbonyl-Phe-O-benzyl-Thr-methylbromide
SpectraBase Compound ID 8AEaWD4aIqt
InChI InChI=1S/C29H31BrN2O5/c1-21(36-19-23-13-7-3-8-14-23)27(26(33)18-30)32-28(34)25(17-22-11-5-2-6-12-22)31-29(35)37-20-24-15-9-4-10-16-24/h2-16,21,25,27H,17-20H2,1H3,(H,31,35)(H,32,34)
InChIKey JCLONPFIHICXPY-UHFFFAOYSA-N
Mol Weight 567.48 g/mol
Molecular Formula C29H31BrN2O5
Exact Mass 566.141635 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IxEqU9T55pF
Name Benzyloxycarbonyl-Phe-O-benzyl-Thr-methylbromide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H31BrN2O5
InChI InChI=1S/C29H31BrN2O5/c1-21(36-19-23-13-7-3-8-14-23)27(26(33)18-30)32-28(34)25(17-22-11-5-2-6-12-22)31-29(35)37-20-24-15-9-4-10-16-24/h2-16,21,25,27H,17-20H2,1H3,(H,31,35)(H,32,34)
InChIKey JCLONPFIHICXPY-UHFFFAOYSA-N
Molecular Weight 567.480 g/mol
SMILES N(C(C(NC(=O)OCc1ccccc1)Cc1ccccc1)=O)C(C(=O)CBr)C(OCc1ccccc1)C
SPLASH splash10-0006-9110110000-8b7119d7f94cc5b6ed9b
Source of Spectrum C-118-3596-0
Synonyms 4-O-benzyl-3-[(2-{[(benzyloxy)carbonyl]amino}-3-phenylpropanoyl)amino]-1-bromo-1,3,5-trideoxypent-2-ulose
Wiley ID 759550