| SpectraBase Spectrum ID |
KjIWNTnAagU |
| Name |
(2S,4S,5R)-2-Isobutyl-5-thiophen-2-yl-pyrrolidine-2,4-dicarboxylic acid 4-tert-butyl ester 2-methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
367.181729588 u |
| Formula |
C19H29NO4S |
| InChI |
InChI=1S/C19H29NO4S/c1-12(2)10-19(17(22)23-6)11-13(16(21)24-18(3,4)5)15(20-19)14-8-7-9-25-14/h7-9,12-13,15,20H,10-11H2,1-6H3/t13-,15+,19-/m0/s1 |
| InChIKey |
PXBKIRRLARANQE-OHNRDTAOSA-N |
| Molecular Weight |
367.504 g/mol |
| SMILES |
[C@]1(N[C@@](C=2SC=CC2)([C@](C1)(C(OC(C)(C)C)=O)[H])[H])(C(=O)OC)CC(C)C |
