| SpectraBase Spectrum ID |
3c1yV8Mea7u |
| Name |
N-Acetyl-S-(1',1',2',3',3'-pentadeuterio-3'-chloro-2'-hydroxypropyl)-cysteine Methyl Ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H11D5ClNO4S |
| InChI |
InChI=1S/C9H16ClNO4S/c1-6(12)11-8(9(14)15-2)5-16-4-7(13)3-10/h7-8,13H,3-5H2,1-2H3,(H,11,12)/t7?,8-/m1/s1/i3D2,4D2,7D |
| InChIKey |
INXLGVRWCQIVOW-LQJNJDKBSA-N |
| Molecular Weight |
274.774 g/mol |
| SMILES |
N([C@](CSC(C(O)(C(Cl)([2D])[2D])[2D])([2D])[2D])(C(=O)OC)[H])C(=O)C |
| SPLASH |
splash10-004i-1980000000-33e7700ae39ee0fb22a5 |
| Source of Spectrum |
CRT-8-566-fig.4C/cpd.III |
| Wiley ID |
1709491 |
