SpectraBase Compound ID | F3F0FaBPn5Y |
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InChI | InChI=1S/C34H43N7O4.ClH/c35-19-11-10-18-28(33(44)37-21-26-14-6-2-7-15-26)39-32(43)24-41-23-31(42)36-22-30(41)29(20-25-12-4-1-5-13-25)40-34(45)38-27-16-8-3-9-17-27;/h1-9,12-17,28-30H,10-11,18-24,35H2,(H,36,42)(H,37,44)(H,39,43)(H2,38,40,45);1H/t28?,29-,30-;/m0./s1 |
InChIKey | RCIBFRPGTOLPOU-OTUDZNQKSA-N |
Mol Weight | 650.2 g/mol |
Molecular Formula | C34H44ClN7O4 |
Exact Mass | 649.314331 g/mol |
SpectraBase Spectrum ID | I3LJU0j0pAZ |
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Name | N-[2-[5-OXO-(2S)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-LYS-NH-BN-HYDROCHLORIDE |
Compound Number | 11B |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C34H44ClN7O4 |
InChI | InChI=1S/C34H43N7O4.ClH/c35-19-11-10-18-28(33(44)37-21-26-14-6-2-7-15-26)39-32(43)24-41-23-31(42)36-22-30(41)29(20-25-12-4-1-5-13-25)40-34(45)38-27-16-8-3-9-17-27;/h1-9,12-17,28-30H,10-11,18-24,35H2,(H,36,42)(H,37,44)(H,39,43)(H2,38,40,45);1H/t28?,29-,30-;/m0./s1 |
InChIKey | RCIBFRPGTOLPOU-OTUDZNQKSA-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 | 650.221 g/mol |
Solvent | DMSO-D6 |
Source File Reference | UWBT14769 |