![2-(3-BENZOYLPHENYL)-PROPIONIC-ACID-3-[2-[3-[3-[2-(3-BENZOYLPHENYL)-PROPIONYLOXY]-PROPYL]-UREIDO]-PHENYL-PROPIONYLAMINO]-PROPYLESTER](/api/spectrum/IovVE5vdKev/structure.png?h=300&w=458 "2-(3-BENZOYLPHENYL)-PROPIONIC-ACID-3-[2-[3-[3-[2-(3-BENZOYLPHENYL)-PROPIONYLOXY]-PROPYL]-UREIDO]-PHENYL-PROPIONYLAMINO]-PROPYLESTER")
| SpectraBase Compound ID | ALXJ3e5zBhu |
|---|---|
| InChI | InChI=1S/C48H49N3O8/c1-33(38-22-12-24-40(31-38)43(52)36-18-8-4-9-19-36)46(55)58-28-14-26-49-45(54)42(30-35-16-6-3-7-17-35)51-48(57)50-27-15-29-59-47(56)34(2)39-23-13-25-41(32-39)44(53)37-20-10-5-11-21-37/h3-13,16-25,31-34,42H,14-15,26-30H2,1-2H3,(H,49,54)(H2,50,51,57) |
| InChIKey | MRTAJGQDVBMQNE-UHFFFAOYSA-N |
| Mol Weight | 795.9 g/mol |
| Molecular Formula | C48H49N3O8 |
| Exact Mass | 795.351966 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IovVE5vdKev |
|---|---|
| Name | 2-(3-BENZOYLPHENYL)-PROPIONIC-ACID-3-[2-[3-[3-[2-(3-BENZOYLPHENYL)-PROPIONYLOXY]-PROPYL]-UREIDO]-PHENYL-PROPIONYLAMINO]-PROPYLESTER |
| Compound Number | 6H |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H49N3O8 |
| InChI | InChI=1S/C48H49N3O8/c1-33(38-22-12-24-40(31-38)43(52)36-18-8-4-9-19-36)46(55)58-28-14-26-49-45(54)42(30-35-16-6-3-7-17-35)51-48(57)50-27-15-29-59-47(56)34(2)39-23-13-25-41(32-39)44(53)37-20-10-5-11-21-37/h3-13,16-25,31-34,42H,14-15,26-30H2,1-2H3,(H,49,54)(H2,50,51,57) |
| InChIKey | MRTAJGQDVBMQNE-UHFFFAOYSA-N |
| Literature Reference Author | I.PERKOVIC,Z.R.DZOLIC,B.ZORC |
| Literature Reference Citation | ACTA.PHARM.,63,409(2013) |
| Molecular Weight | 795.932 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU78935 |