| SpectraBase Spectrum ID |
BN9g8gwDfSA |
| Name |
N(.alpha.)-tert-Butyl-N-phthaloyl-p-nitrophenyl-3-nitroxyalaninamide |
| Alternate Name(s) |
(1S,2R)-3-(tert-butylamino)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-(4-nitrophenyl)-3-oxopropyl nitrate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H20N4O8 |
| InChI |
InChI=1S/C21H20N4O8/c1-21(2,3)22-18(26)16(23-19(27)14-6-4-5-7-15(14)20(23)28)17(33-25(31)32)12-8-10-13(11-9-12)24(29)30/h4-11,16-17H,1-3H3,(H,22,26)/t16-,17+/m1/s1 |
| InChIKey |
YEVHDIUACCNVCG-SJORKVTESA-N |
| Molecular Weight |
456.411 g/mol |
| SMILES |
N(C([C@](N1C(c2ccccc2C1=O)=O)([C@@](ON(=O)=O)(c1ccc(N(=O)=O)cc1)[H])[H])=O)C(C)(C)C |
| SPLASH |
splash10-052r-0093200000-b12ee220b9aa02e75ca3 |
| Source of Spectrum |
F-52-7034-16 |
| Wiley ID |
796700 |
