![2-(3-BENZOYLPHENYL)-PROPIONIC-ACID-3-[2-[3-[3-[2-(3-BENZOYLPHENYL)-PROPIONYLOXY]-PROPYL]-UREIDO]-4-METHYL-PENTANOYLAMINO]-PROPYLESTER](/api/spectrum/3LqoGUADHmQ/structure.png?h=300&w=458 "2-(3-BENZOYLPHENYL)-PROPIONIC-ACID-3-[2-[3-[3-[2-(3-BENZOYLPHENYL)-PROPIONYLOXY]-PROPYL]-UREIDO]-4-METHYL-PENTANOYLAMINO]-PROPYLESTER")
| SpectraBase Compound ID | 4hL1MfmJzBg |
|---|---|
| InChI | InChI=1S/C45H51N3O8/c1-30(2)27-39(42(51)46-23-13-25-55-43(52)31(3)35-19-11-21-37(28-35)40(49)33-15-7-5-8-16-33)48-45(54)47-24-14-26-56-44(53)32(4)36-20-12-22-38(29-36)41(50)34-17-9-6-10-18-34/h5-12,15-22,28-32,39H,13-14,23-27H2,1-4H3,(H,46,51)(H2,47,48,54) |
| InChIKey | XGZGBZYXYMZNAW-UHFFFAOYSA-N |
| Mol Weight | 761.9 g/mol |
| Molecular Formula | C45H51N3O8 |
| Exact Mass | 761.367616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3LqoGUADHmQ |
|---|---|
| Name | 2-(3-BENZOYLPHENYL)-PROPIONIC-ACID-3-[2-[3-[3-[2-(3-BENZOYLPHENYL)-PROPIONYLOXY]-PROPYL]-UREIDO]-4-METHYL-PENTANOYLAMINO]-PROPYLESTER |
| Compound Number | 6D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H51N3O8 |
| InChI | InChI=1S/C45H51N3O8/c1-30(2)27-39(42(51)46-23-13-25-55-43(52)31(3)35-19-11-21-37(28-35)40(49)33-15-7-5-8-16-33)48-45(54)47-24-14-26-56-44(53)32(4)36-20-12-22-38(29-36)41(50)34-17-9-6-10-18-34/h5-12,15-22,28-32,39H,13-14,23-27H2,1-4H3,(H,46,51)(H2,47,48,54) |
| InChIKey | XGZGBZYXYMZNAW-UHFFFAOYSA-N |
| Literature Reference Author | I.PERKOVIC,Z.R.DZOLIC,B.ZORC |
| Literature Reference Citation | ACTA.PHARM.,63,409(2013) |
| Molecular Weight | 761.915 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU78931 |