![3-[[2-[4-(4-cyanophenyl)-2,5-diketo-4-methyl-imidazolidin-1-yl]acetyl]amino]-3-phenyl-propionic acid](/api/spectrum/3XtmYRUzCHC/structure.png?h=300&w=458 "3-[[2-[4-(4-cyanophenyl)-2,5-diketo-4-methyl-imidazolidin-1-yl]acetyl]amino]-3-phenyl-propionic acid")
| SpectraBase Compound ID | DJIWug5Iig8 |
|---|---|
| InChI | InChI=1S/C22H20N4O5/c1-22(16-9-7-14(12-23)8-10-16)20(30)26(21(31)25-22)13-18(27)24-17(11-19(28)29)15-5-3-2-4-6-15/h2-10,17H,11,13H2,1H3,(H,24,27)(H,25,31)(H,28,29) |
| InChIKey | RXSREFITHARDTK-UHFFFAOYSA-N |
| Mol Weight | 420.43 g/mol |
| Molecular Formula | C22H20N4O5 |
| Exact Mass | 420.14337 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3XtmYRUzCHC |
|---|---|
| Name | 3-[[2-[4-(4-cyanophenyl)-2,5-diketo-4-methyl-imidazolidin-1-yl]acetyl]amino]-3-phenyl-propionic acid |
| Compound Number | 2171 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H20N4O5 |
| InChI | InChI=1S/C22H20N4O5/c1-22(16-9-7-14(12-23)8-10-16)20(30)26(21(31)25-22)13-18(27)24-17(11-19(28)29)15-5-3-2-4-6-15/h2-10,17H,11,13H2,1H3,(H,24,27)(H,25,31)(H,28,29) |
| InChIKey | RXSREFITHARDTK-UHFFFAOYSA-N |
| Literature Reference Author | W.ROBIEN |
| Literature Reference Citation | W.ROBIEN,PRIVATE_COMMUNICATION |
| Molecular Weight | 420.425 g/mol |
| Sample ID | 2572 |
| Solvent | DMSO-D6 |