| SpectraBase Spectrum ID |
4M1qC2cBQSA |
| Name |
(3R*,4R*)-1-amino-2-cyano-2,5-di(ethoxycarbonyl)-3,4-dideuterio-3,4-di(4-pyridyl)-5-cyclopentene |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H20D2N4O4 |
| InChI |
InChI=1S/C22H22N4O4/c1-3-29-20(27)17-16(14-5-9-25-10-6-14)18(15-7-11-26-12-8-15)22(13-23,19(17)24)21(28)30-4-2/h5-12,16,18H,3-4,24H2,1-2H3/t16-,18+,22?/m1/s1/i16D,18D |
| InChIKey |
PHOCPFFCXFALBC-FUYXJBDPSA-N |
| Molecular Weight |
408.454 g/mol |
| SMILES |
NC1=C(C(=O)OCC)[C@]([C@@](C1(C(=O)OCC)C#N)(c1ccncc1)[2D])(c1ccncc1)[2D] |
| SPLASH |
splash10-052r-0089800000-400d38fd8c5ec6a0d837 |
| Source of Spectrum |
H-60-627-0 |
| Wiley ID |
1372122 |
