| SpectraBase Spectrum ID |
BNeZzqNzM4 |
| Name |
3-((1R)-1-Hydroxy-3-((4S)-isopropyl-2-thioxothiazolidin-3-yl)-3-oxopropyl)benzyl Benzoate |
| Alternate Name(s) |
3-{(1R)-1-hydroxy-3-[(4S)-4-isopropyl-2-thioxo-1,3-thiazolidin-3-yl]-3-oxopropyl}benzyl benzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H25NO4S2 |
| InChI |
InChI=1S/C23H25NO4S2/c1-15(2)19-14-30-23(29)24(19)21(26)12-20(25)18-10-6-7-16(11-18)13-28-22(27)17-8-4-3-5-9-17/h3-11,15,19-20,25H,12-14H2,1-2H3/t19-,20-/m1/s1 |
| InChIKey |
SYKLULYRJLNYPI-WOJBJXKFSA-N |
| Molecular Weight |
443.576 g/mol |
| SMILES |
O[C@](CC(N1C(SC[C@@]1(C(C)C)[H])=S)=O)(c1cc(COC(=O)c2ccccc2)ccc1)[H] |
| SPLASH |
splash10-0a4i-0900000000-8c27a95f5b3d82cf98f7 |
| Source of Spectrum |
KC-61-2613-19 |
| Wiley ID |
1628156 |
