N-[2-[4-BENZYL-(2S)-[(1S)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-LYS(Z)-NH-BN-HYDROCHLORIDE
Compound with spectra: 1 NMR
![N-[2-[4-BENZYL-(2S)-[(1S)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-LYS(Z)-NH-BN-HYDROCHLORIDE](/api/compound/J8BIMnRA8fQ.png?ph=true&h=300&w=458 "N-[2-[4-BENZYL-(2S)-[(1S)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-LYS(Z)-NH-BN-HYDROCHLORIDE")
| SpectraBase Compound ID | J8BIMnRA8fQ |
|---|---|
| InChI | InChI=1S/C42H50N6O5.ClH/c43-36(25-32-15-5-1-6-16-32)38-28-48(27-34-19-9-3-10-20-34)40(50)30-47(38)29-39(49)46-37(41(51)45-26-33-17-7-2-8-18-33)23-13-14-24-44-42(52)53-31-35-21-11-4-12-22-35;/h1-12,15-22,36-38H,13-14,23-31,43H2,(H,44,52)(H,45,51)(H,46,49);1H/t36-,37?,38-;/m0./s1 |
| InChIKey | IUFTXEBUEGDNRC-QZLUKGTOSA-N |
| Mol Weight | 755.4 g/mol |
| Molecular Formula | C42H51ClN6O5 |
| Exact Mass | 754.360946 g/mol |
| Parent InChIKey | QBRRPBVBRBORDC-KRDNKVJXSA-N |
| Enantiomer InChIKey | IUFTXEBUEGDNRC-YCRUGNFOSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
N-[2-[4-BENZYL-(2S)-[(1S)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN-HYDROCHLORIDE
N-[2-[(2S)-[(1S)-(3-BENZYLUREIDO)-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-LYS(Z)-NH-BN
N-[2-[(2R)-[(1S)-(3-BENZYLUREIDO)-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-LYS(Z)-NH-BN
N-[2-[(2R)-[(1S)-[(TERT.-BUTOXYCARBONYL)-AMINO]-2-PHENYLETHYL]-5-OXOPIPERAZIN-1-YL]-ACETYL]-LYS(Z)-NH-BN
N-[2-[(2S)-[(1S)-[(TERT.-BUTOXYCARBONYL)-AMINO]-2-PHENYLETHYL]-5-OXOPIPERAZIN-1-YL]-ACETYL]-LYS(Z)-NH-BN
2-[4-BENZYL-(2S)-[(1S)-[(TERT.-BUTOXYCARBONYL)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETIC-ACID
2-[4-BENZYL-(2R)-[(1S)-[(TERT.-BUTOXYCARBONYL)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETIC-ACID
N-[2-[5-OXO-(2R)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN
N-[2-[(2R)-[(1S)-(3-BENZYLUREIDO)-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN
| 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 |