N-[2-[4-BENZYL-(2R)-[(1S)-[(TERT.-BUTOXYCARBONYL)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-ARG(PBF)-NH-BN
Compound with spectra: 1 NMR
![N-[2-[4-BENZYL-(2R)-[(1S)-[(TERT.-BUTOXYCARBONYL)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-ARG(PBF)-NH-BN](/api/compound/5Jvrkw4T2cU.png?ph=true&h=300&w=458 "N-[2-[4-BENZYL-(2R)-[(1S)-[(TERT.-BUTOXYCARBONYL)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-ARG(PBF)-NH-BN")
| SpectraBase Compound ID | 5Jvrkw4T2cU |
|---|---|
| InChI | InChI=1S/C52H68N8O8S/c1-34-35(2)47(36(3)40-28-52(7,8)67-46(34)40)69(65,66)58-49(53)54-26-18-25-41(48(63)55-29-38-21-14-10-15-22-38)56-44(61)32-59-33-45(62)60(30-39-23-16-11-17-24-39)31-43(59)42(27-37-19-12-9-13-20-37)57-50(64)68-51(4,5)6/h9-17,19-24,41-43H,18,25-33H2,1-8H3,(H,55,63)(H,56,61)(H,57,64)(H3,53,54,58)/t41?,42-,43+/m0/s1 |
| InChIKey | NFZRVSLPCSLMPC-IEZDNMIOSA-N |
| Mol Weight | 965.2 g/mol |
| Molecular Formula | C52H68N8O8S |
| Exact Mass | 964.488082 g/mol |
| Enantiomer InChIKey | NFZRVSLPCSLMPC-OLBUKZTLSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
#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(
#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-
3-(3-bromo-4-fluorophenyl)-5-(4-fluorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione
9-bromo-1'-(methylsulfonyl)-2-(thiophen-2-yl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidine]
3-(3-bromo-4-fluorophenyl)-5-(4-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione
1,3-dimethyl-6-nitro-8,9-dihydroimidazo[2',1':6,1]pyrido[2,3-d]pyrimidine-2,4,5(1H,3H,7H)-trione
| 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 |