| SpectraBase Spectrum ID |
81uCrukfxAc |
| Name |
N-Tfa-L-prolylpenicillamine butyl ester |
| CAS Registry Number |
63085-24-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H25F3N2O4S |
| InChI |
InChI=1S/C16H25F3N2O4S/c1-4-5-9-25-13(23)11(15(2,3)26)20-12(22)10-7-6-8-21(10)14(24)16(17,18)19/h10-11,26H,4-9H2,1-3H3,(H,20,22)/t10-,11+/m0/s1 |
| InChIKey |
DFYIONSMGDYAME-WDEREUQCSA-N |
| Molecular Weight |
398.441 g/mol |
| SMILES |
N([C@@](C(S)(C)C)(C(=O)OCCCC)[H])C([C@]1(N(C(C(F)(F)F)=O)CCC1)[H])=O |
| SPLASH |
splash10-016r-9721000000-9329eacd314a061860bc |
| Source of Spectrum |
W5-1989-9631-1 |
| Synonyms |
Butyl (2R)-3-methyl-3-sulfanyl-2-({[(2S)-1-(trifluoroacetyl)pyrrolidinyl]carbonyl}amino)butanoate |
| Wiley ID |
1368168 |
