| SpectraBase Spectrum ID |
I3O9KLWNYcl |
| Name |
1H-Pyrrole-3-propanoic acid, 5-[[2,5-dihydro-3-methyl-4-[2-[(methylsulfonyl)oxy]ethyl]-5-oxo-1H-py rrol-2-yl]methyl]-2-[(1,1-dimethylethoxy)carbonyl]-4-methyl-, methyl ester, (.+-.)- |
| CAS Registry Number |
66385-45-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H34N2O8S |
| InChI |
InChI=1S/C23H34N2O8S/c1-13-15(8-9-19(26)31-6)20(22(28)33-23(3,4)5)24-17(13)12-18-14(2)16(21(27)25-18)10-11-32-34(7,29)30/h18,24H,8-12H2,1-7H3,(H,25,27) |
| InChIKey |
OPUKTOLHCZDWCT-UHFFFAOYSA-N |
| Molecular Weight |
498.591 g/mol |
| SMILES |
[nH]1c(c(c(c1CC1C(=C(C(N1)=O)CCOS(=O)(=O)C)C)C)CCC(=O)OC)C(OC(C)(C)C)=O |
| SPLASH |
splash10-0fdk-0079400000-c36e59bfa7d5451d645f |
| Source of Spectrum |
K-111-498-0 |
| Synonyms |
Methyl ester of 5'-tert-butoxycarbonyl-2,5-dihydro-3,3'-dimethyl-4-(2-methylsulfonyloxy)ethyl)-5-oxo-2,2'-di-pyrrylmethan-4'-propionic acid
tert-Butyl 3-(3-methoxy-3-oxopropyl)-4-methyl-5-[(3-methyl-4-{2-[(methylsulfonyl)oxy]ethyl}-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-1H-pyrrole-2-carboxylate |
| Wiley ID |
1398499 |
![1H-Pyrrole-3-propanoic acid, 5-[[2,5-dihydro-3-methyl-4-[2-[(methylsulfonyl)oxy]ethyl]-5-oxo-1H-py rrol-2-yl]methyl]-2-[(1,1-dimethylethoxy)carbonyl]-4-methyl-, methyl ester, (.+-.)-](/api/spectrum/I3O9KLWNYcl/structure.png?h=300&w=458 "1H-Pyrrole-3-propanoic acid, 5-[[2,5-dihydro-3-methyl-4-[2-[(methylsulfonyl)oxy]ethyl]-5-oxo-1H-py rrol-2-yl]methyl]-2-[(1,1-dimethylethoxy)carbonyl]-4-methyl-, methyl ester, (.+-.)-")
