![N-[2-[4-BENZYL-5-OXO-(2R)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-LYS-NH-BN-HYDROCHLORIDE](/api/spectrum/2CStO0jcg77/structure.png?h=300&w=458 "N-[2-[4-BENZYL-5-OXO-(2R)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-LYS-NH-BN-HYDROCHLORIDE")
| SpectraBase Compound ID | EgdZUJs1fw8 |
|---|---|
| InChI | InChI=1S/C41H49N7O4.ClH/c42-24-14-13-23-35(40(51)43-26-32-17-7-2-8-18-32)45-38(49)29-47-30-39(50)48(27-33-19-9-3-10-20-33)28-37(47)36(25-31-15-5-1-6-16-31)46-41(52)44-34-21-11-4-12-22-34;/h1-12,15-22,35-37H,13-14,23-30,42H2,(H,43,51)(H,45,49)(H2,44,46,52);1H/t35?,36-,37+;/m0./s1 |
| InChIKey | FEGSKXCONMYMTJ-RKKOYJDJSA-N |
| Mol Weight | 740.3 g/mol |
| Molecular Formula | C41H50ClN7O4 |
| Exact Mass | 739.361281 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2CStO0jcg77 |
|---|---|
| Name | N-[2-[4-BENZYL-5-OXO-(2R)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-LYS-NH-BN-HYDROCHLORIDE |
| Compound Number | 19B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H50ClN7O4 |
| InChI | InChI=1S/C41H49N7O4.ClH/c42-24-14-13-23-35(40(51)43-26-32-17-7-2-8-18-32)45-38(49)29-47-30-39(50)48(27-33-19-9-3-10-20-33)28-37(47)36(25-31-15-5-1-6-16-31)46-41(52)44-34-21-11-4-12-22-34;/h1-12,15-22,35-37H,13-14,23-30,42H2,(H,43,51)(H,45,49)(H2,44,46,52);1H/t35?,36-,37+;/m0./s1 |
| InChIKey | FEGSKXCONMYMTJ-RKKOYJDJSA-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 | 740.345 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWBT14800 |