SpectraBase Compound ID | CiwKQeNpB0p |
---|---|
InChI | InChI=1S/C42H49N7O6/c50-38-28-49(37(27-44-38)36(25-31-15-5-1-6-16-31)48-41(53)46-34-21-11-4-12-22-34)29-39(51)47-35(40(52)45-26-32-17-7-2-8-18-32)23-13-14-24-43-42(54)55-30-33-19-9-3-10-20-33/h1-12,15-22,35-37H,13-14,23-30H2,(H,43,54)(H,44,50)(H,45,52)(H,47,51)(H2,46,48,53)/t35?,36-,37+/m0/s1 |
InChIKey | LQRIKMMZJXRBKA-AYZHLZKXSA-N |
Mol Weight | 747.9 g/mol |
Molecular Formula | C42H49N7O6 |
Exact Mass | 747.374432 g/mol |
SpectraBase Spectrum ID | Jx9DpnJ0dsO |
---|---|
Name | N-[2-[5-OXO-(2R)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-LYS(Z)-NH-BN |
Compound Number | 9B |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C42H49N7O6 |
InChI | InChI=1S/C42H49N7O6/c50-38-28-49(37(27-44-38)36(25-31-15-5-1-6-16-31)48-41(53)46-34-21-11-4-12-22-34)29-39(51)47-35(40(52)45-26-32-17-7-2-8-18-32)23-13-14-24-43-42(54)55-30-33-19-9-3-10-20-33/h1-12,15-22,35-37H,13-14,23-30H2,(H,43,54)(H,44,50)(H,45,52)(H,47,51)(H2,46,48,53)/t35?,36-,37+/m0/s1 |
InChIKey | LQRIKMMZJXRBKA-AYZHLZKXSA-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 | 747.894 g/mol |
Solvent | CDCl3 |
Source File Reference | UWBT14760 |