![2-(3-BENZOYLPHENYL)-PROPIONIC-ACID-3-[2-[3-[3-[2-(3-BENZOYLPHENYL)-PROPIONYLOXY]-PROPYL]-UREIDO]-2-PROPIONYLAMINO]-PROPYLESTER](/api/spectrum/48ZICzsrGnN/structure.png?h=300&w=458 "2-(3-BENZOYLPHENYL)-PROPIONIC-ACID-3-[2-[3-[3-[2-(3-BENZOYLPHENYL)-PROPIONYLOXY]-PROPYL]-UREIDO]-2-PROPIONYLAMINO]-PROPYLESTER")
| SpectraBase Compound ID | HJK6JxGQ6N5 |
|---|---|
| InChI | InChI=1S/C42H45N3O8/c1-28(33-18-10-20-35(26-33)37(46)31-14-6-4-7-15-31)40(49)52-24-12-22-43-39(48)30(3)45-42(51)44-23-13-25-53-41(50)29(2)34-19-11-21-36(27-34)38(47)32-16-8-5-9-17-32/h4-11,14-21,26-30H,12-13,22-25H2,1-3H3,(H,43,48)(H2,44,45,51) |
| InChIKey | RPKKEPCFKYTPNI-UHFFFAOYSA-N |
| Mol Weight | 719.8 g/mol |
| Molecular Formula | C42H45N3O8 |
| Exact Mass | 719.320665 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 48ZICzsrGnN |
|---|---|
| Name | 2-(3-BENZOYLPHENYL)-PROPIONIC-ACID-3-[2-[3-[3-[2-(3-BENZOYLPHENYL)-PROPIONYLOXY]-PROPYL]-UREIDO]-2-PROPIONYLAMINO]-PROPYLESTER |
| Compound Number | 6C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H45N3O8 |
| InChI | InChI=1S/C42H45N3O8/c1-28(33-18-10-20-35(26-33)37(46)31-14-6-4-7-15-31)40(49)52-24-12-22-43-39(48)30(3)45-42(51)44-23-13-25-53-41(50)29(2)34-19-11-21-36(27-34)38(47)32-16-8-5-9-17-32/h4-11,14-21,26-30H,12-13,22-25H2,1-3H3,(H,43,48)(H2,44,45,51) |
| InChIKey | RPKKEPCFKYTPNI-UHFFFAOYSA-N |
| Literature Reference Author | I.PERKOVIC,Z.R.DZOLIC,B.ZORC |
| Literature Reference Citation | ACTA.PHARM.,63,409(2013) |
| Molecular Weight | 719.835 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU78930 |