![N-[2-[4-BENZYL-5-OXO-(2R)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-ARG-NH-BN](/api/spectrum/DFIHo1CE3my/structure.png?h=300&w=458 "N-[2-[4-BENZYL-5-OXO-(2R)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-ARG-NH-BN")
| SpectraBase Compound ID | D5n29Tk162R |
|---|---|
| InChI | InChI=1S/C41H49N9O4/c42-40(43)44-23-13-22-34(39(53)45-25-31-16-7-2-8-17-31)47-37(51)28-49-29-38(52)50(26-32-18-9-3-10-19-32)27-36(49)35(24-30-14-5-1-6-15-30)48-41(54)46-33-20-11-4-12-21-33/h1-12,14-21,34-36H,13,22-29H2,(H,45,53)(H,47,51)(H4,42,43,44)(H2,46,48,54)/t34?,35-,36+/m0/s1 |
| InChIKey | GTHKHMIGVOKJHE-CIDCSGNASA-N |
| Mol Weight | 731.9 g/mol |
| Molecular Formula | C41H49N9O4 |
| Exact Mass | 731.390751 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DFIHo1CE3my |
|---|---|
| Name | N-[2-[4-BENZYL-5-OXO-(2R)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-ARG-NH-BN |
| Compound Number | 19C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H49N9O4 |
| InChI | InChI=1S/C41H49N9O4/c42-40(43)44-23-13-22-34(39(53)45-25-31-16-7-2-8-17-31)47-37(51)28-49-29-38(52)50(26-32-18-9-3-10-19-32)27-36(49)35(24-30-14-5-1-6-15-30)48-41(54)46-33-20-11-4-12-21-33/h1-12,14-21,34-36H,13,22-29H2,(H,45,53)(H,47,51)(H4,42,43,44)(H2,46,48,54)/t34?,35-,36+/m0/s1 |
| InChIKey | GTHKHMIGVOKJHE-CIDCSGNASA-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 | 731.898 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWBT14806 |