![2-(3-BENZOYLPHENYL)-PROPIONIC-ACID-5-[2-[3-[5-[2-(3-BENZOYLPHENYL)-PROPIONYLOXY]-PENTYL]-UREIDO]-4-METHYL-PENTANOYLAMINO]-PENTYLESTER](/api/spectrum/3SjZUlC8l1R/structure.png?h=300&w=458 "2-(3-BENZOYLPHENYL)-PROPIONIC-ACID-5-[2-[3-[5-[2-(3-BENZOYLPHENYL)-PROPIONYLOXY]-PENTYL]-UREIDO]-4-METHYL-PENTANOYLAMINO]-PENTYLESTER")
| SpectraBase Compound ID | 4cjpFKUDBdp |
|---|---|
| InChI | InChI=1S/C49H59N3O8/c1-34(2)31-43(46(55)50-27-13-7-15-29-59-47(56)35(3)39-23-17-25-41(32-39)44(53)37-19-9-5-10-20-37)52-49(58)51-28-14-8-16-30-60-48(57)36(4)40-24-18-26-42(33-40)45(54)38-21-11-6-12-22-38/h5-6,9-12,17-26,32-36,43H,7-8,13-16,27-31H2,1-4H3,(H,50,55)(H2,51,52,58) |
| InChIKey | SYBBPTDQXHPUAZ-UHFFFAOYSA-N |
| Mol Weight | 818.0 g/mol |
| Molecular Formula | C49H59N3O8 |
| Exact Mass | 817.430216 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3SjZUlC8l1R |
|---|---|
| Name | 2-(3-BENZOYLPHENYL)-PROPIONIC-ACID-5-[2-[3-[5-[2-(3-BENZOYLPHENYL)-PROPIONYLOXY]-PENTYL]-UREIDO]-4-METHYL-PENTANOYLAMINO]-PENTYLESTER |
| Compound Number | 6E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H59N3O8 |
| InChI | InChI=1S/C49H59N3O8/c1-34(2)31-43(46(55)50-27-13-7-15-29-59-47(56)35(3)39-23-17-25-41(32-39)44(53)37-19-9-5-10-20-37)52-49(58)51-28-14-8-16-30-60-48(57)36(4)40-24-18-26-42(33-40)45(54)38-21-11-6-12-22-38/h5-6,9-12,17-26,32-36,43H,7-8,13-16,27-31H2,1-4H3,(H,50,55)(H2,51,52,58) |
| InChIKey | SYBBPTDQXHPUAZ-UHFFFAOYSA-N |
| Literature Reference Author | I.PERKOVIC,Z.R.DZOLIC,B.ZORC |
| Literature Reference Citation | ACTA.PHARM.,63,409(2013) |
| Molecular Weight | 818.023 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU78932 |