For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
#23B;N-[2-[4-BENZYL-(2R)-[(1S)-[3-[1-(2,6-DICHLOROBENZYL)-3-(PYRROLIDIN-1-YL-METHYL)-1H-INDAZOL-6-YL]-UREIDO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-LYS(
SpectraBase Compound ID Dy6LuDttyz9
InChI InChI=1S/C62H68Cl2N10O6/c63-51-26-17-27-52(64)50(51)38-74-56-35-48(29-30-49(56)55(70-74)39-71-32-15-16-33-71)67-61(78)69-54(34-44-18-5-1-6-19-44)57-40-73(37-46-22-9-3-10-23-46)59(76)42-72(57)41-58(75)68-53(60(77)66-36-45-20-7-2-8-21-45)28-13-14-31-65-62(79)80-43-47-24-11-4-12-25-47/h1-12,17-27,29-30,35,53-54,57H,13-16,28,31-34,36-43H2,(H,65,79)(H,66,77)(H,68,75)(H2,67,69,78)/t53?,54-,57-/m1/s1
InChIKey DMBHYTTXOXPGFS-WTVKCHCNSA-N
Mol Weight 1120.2 g/mol
Molecular Formula C62H68Cl2N10O6
Exact Mass 1118.470035 g/mol
Enantiomer InChIKey DMBHYTTXOXPGFS-OMSMCDKWSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Exploring the Phe-Gly Dipeptide-Derived Piperazinone Scaffold in the Search for Antagonists of the Thrombin Receptor PAR1 Molecules 2014
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.