![N-[2-[(2S)-[(1S)-(3-BENZYLUREIDO)-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-LYS-NH-BN-HYDROCHLORIDE](/api/spectrum/8e1IcUP8yxt/structure.png?h=300&w=458 "N-[2-[(2S)-[(1S)-(3-BENZYLUREIDO)-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-LYS-NH-BN-HYDROCHLORIDE")
| SpectraBase Compound ID | BgWpN2d2WKL |
|---|---|
| InChI | InChI=1S/C35H45N7O4.ClH/c36-19-11-10-18-29(34(45)38-21-27-14-6-2-7-15-27)40-33(44)25-42-24-32(43)37-23-31(42)30(20-26-12-4-1-5-13-26)41-35(46)39-22-28-16-8-3-9-17-28;/h1-9,12-17,29-31H,10-11,18-25,36H2,(H,37,43)(H,38,45)(H,40,44)(H2,39,41,46);1H/t29?,30-,31-;/m0./s1 |
| InChIKey | ZLGPSIAFWAWOET-FEECCKNXSA-N |
| Mol Weight | 664.3 g/mol |
| Molecular Formula | C35H46ClN7O4 |
| Exact Mass | 663.329981 g/mol |
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| SpectraBase Spectrum ID | 8e1IcUP8yxt |
|---|---|
| Name | N-[2-[(2S)-[(1S)-(3-BENZYLUREIDO)-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-LYS-NH-BN-HYDROCHLORIDE |
| Compound Number | 12B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H46ClN7O4 |
| InChI | InChI=1S/C35H45N7O4.ClH/c36-19-11-10-18-29(34(45)38-21-27-14-6-2-7-15-27)40-33(44)25-42-24-32(43)37-23-31(42)30(20-26-12-4-1-5-13-26)41-35(46)39-22-28-16-8-3-9-17-28;/h1-9,12-17,29-31H,10-11,18-25,36H2,(H,37,43)(H,38,45)(H,40,44)(H2,39,41,46);1H/t29?,30-,31-;/m0./s1 |
| InChIKey | ZLGPSIAFWAWOET-FEECCKNXSA-N |
| Literature Reference Author | A.M.VALDIVIELSO,M.T.GARCIA-LOPEZ,M.GUTIERREZ-RODRIGUEZ,R.HER RANZ |
| Literature Reference Citation | MOLECULES,19,4814(2014) |
| Literature Reference DOI | 10.3390/molecules19044814 |
| Molecular Weight | 664.248 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWBT14773 |