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#24B;N-[2-[4-BENZYL-(2S)-[(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-

Compound with spectra: 1 NMR

#24B;N-[2-[4-BENZYL-(2S)-[(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 6fQ54r5jo44
InChI InChI=1S/C54H62Cl2N10O4.ClH/c55-44-21-14-22-45(56)43(44)33-66-49-30-41(24-25-42(49)48(62-66)34-63-27-12-13-28-63)59-54(70)61-47(29-38-15-4-1-5-16-38)50-35-65(32-40-19-8-3-9-20-40)52(68)37-64(50)36-51(67)60-46(23-10-11-26-57)53(69)58-31-39-17-6-2-7-18-39;/h1-9,14-22,24-25,30,46-47,50H,10-13,23,26-29,31-37,57H2,(H,58,69)(H,60,67)(H2,59,61,70);1H/t46?,47-,50+;/m1./s1
InChIKey GOPNITJMXLATBJ-VDAOIBDASA-N
Mol Weight 1022.5 g/mol
Molecular Formula C54H63Cl3N10O4
Exact Mass 1020.409934 g/mol
Parent InChIKey UKLXBESLNJBUPL-RRIBTHAHSA-N
Enantiomer InChIKey GOPNITJMXLATBJ-CSDORGNISA-N

View Spectrum of #24B;N-[2-[4-BENZYL-(2S)-[(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-

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
#24B;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-
#24C;N-[2-[4-BENZYL-(2S)-[(1S)-[3-[1-(2,6-DICHLOROBENZYL)-3-(PYRROLIDIN-1-YL-METHYL)-1H-INDAZOL-6-YL]-UREIDO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-ARG-
#24C;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]-ARG-
#23B;N-[2-[4-BENZYL-(2S)-[(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(
IBOTALACTONE-B-PENTAACETATE
(2E)-5-[4-(difluoromethoxy)phenyl]-3-keto-7-methyl-2-[(1-methylpyrazol-4-yl)methylene]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
9-tert-Butyl-10-hydroxy-2,3-dimethoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one
2-(naphthalen-1-yl)-1'-propyl-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidine]
EUPHOHELIOSNOID-D
(+)-(S)-2,6'-DIMETHOXY-2',4',6-TRIMETHYLSPIRO-(CYCLOHEXA-2,5-DIENE-1,7'-[1'H]-ISOINDOL)-4-ONE
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
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