N-[2-[4-BENZYL-5-OXO-(2R)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-ARG(PBF)-NH-BN
Compound with spectra: 1 NMR
![N-[2-[4-BENZYL-5-OXO-(2R)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-ARG(PBF)-NH-BN](/api/compound/FtSVDNahks8.png?ph=true&h=300&w=458 "N-[2-[4-BENZYL-5-OXO-(2R)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-ARG(PBF)-NH-BN")
| SpectraBase Compound ID | FtSVDNahks8 |
|---|---|
| InChI | InChI=1S/C54H65N9O7S/c1-36-37(2)50(38(3)43-30-54(4,5)70-49(36)43)71(68,69)61-52(55)56-28-18-27-44(51(66)57-31-40-21-12-7-13-22-40)59-47(64)34-62-35-48(65)63(32-41-23-14-8-15-24-41)33-46(62)45(29-39-19-10-6-11-20-39)60-53(67)58-42-25-16-9-17-26-42/h6-17,19-26,44-46H,18,27-35H2,1-5H3,(H,57,66)(H,59,64)(H3,55,56,61)(H2,58,60,67)/t44?,45-,46+/m0/s1 |
| InChIKey | DUBOYLOOSWMGMO-HJZMVZFNSA-N |
| Mol Weight | 984.2 g/mol |
| Molecular Formula | C54H65N9O7S |
| Exact Mass | 983.472767 g/mol |
| Enantiomer InChIKey | DUBOYLOOSWMGMO-QFWGOCEISA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
N-[2-[4-BENZYL-(2R)-[(1S)-[(TERT.-BUTOXYCARBONYL)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-ARG(PBF)-NH-BN
N-[2-[4-BENZYL-(2S)-[(1S)-[(TERT.-BUTOXYCARBONYL)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-ARG(PBF)-NH-BN
#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(
#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(
#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-
#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-
#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-
#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-
10,11-Dimethoxy-1-phenyldibenzo[2,3:6,7]oxepino[4,5-d]pyrazole
| 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 |