| SpectraBase Spectrum ID |
3asvdfx0StW |
| Name |
(2R,4S,5R)-4-benzoyl-3,3-bis(methylthio)-5-phenyl-2-pyrrolidinecarboxylic acid ethyl ester |
| CAS Registry Number |
132058-92-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H25NO3S2 |
| InChI |
InChI=1S/C22H25NO3S2/c1-4-26-21(25)20-22(27-2,28-3)17(19(24)16-13-9-6-10-14-16)18(23-20)15-11-7-5-8-12-15/h5-14,17-18,20,23H,4H2,1-3H3/t17-,18-,20+/m0/s1 |
| InChIKey |
RQUPYULWYBMTRP-CMKODMSKSA-N |
| Molecular Weight |
415.566 g/mol |
| SMILES |
N1[C@]([C@](C([C@]1(C(=O)OCC)[H])(SC)SC)(C(=O)c1ccccc1)[H])(c1ccccc1)[H] |
| SPLASH |
splash10-016r-0059000000-9879ac13491acd5096d6 |
| Source of Spectrum |
F-46-6780-18 |
| Synonyms |
(2R,4S,5R)-4-benzoyl-3,3-bis(methylthio)-5-phenyl-pyrrolidine-2-carboxylic acid ethyl ester
ethyl (2R,4S,5R)-3,3-bis(methylsulfanyl)-5-phenyl-4-(phenylcarbonyl)pyrrolidine-2-carboxylate
ethyl (2R,4S,5R)-4-benzoyl-3,3-bis(methylsulfanyl)-5-phenyl-pyrrolidine-2-carboxylate |
| Wiley ID |
1375961 |
