| SpectraBase Spectrum ID |
9KlaCKfpfUv |
| Name |
1H-Pyrrole-3-propanoic acid, 5-[[2,5-dihydro-3-methyl-4-[2-[(4-methylphenoxy)thioxomethoxy]ethyl]- 5-oxo-1H-pyrrol-2-yl]methyl]-2-[(1,1-dimethylethoxy)carbonyl]-4-methyl-, methyl ester, (.+-.)- |
| Alternate Name(s) |
Methyl ester of 5'-tert-butoxycarbonyl-2,5-dihydro-3,3'-me2-5-oxo-4-(2-(p-tolyloxythiocarbonyloxy)ethyl)-2,2'-dipyrrylmethan-4'-propionic acid
tert-Butyl 3-(3-methoxy-3-oxopropyl)-4-methyl-5-{[3-methyl-4-(2-{[(4-methylphenoxy)carbothioyl]oxy}ethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-1H-pyrrole-2-carboxylate |
| CAS Registry Number |
66385-41-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H38N2O7S |
| InChI |
InChI=1S/C30H38N2O7S/c1-17-8-10-20(11-9-17)38-29(40)37-15-14-22-19(3)24(32-27(22)34)16-23-18(2)21(12-13-25(33)36-7)26(31-23)28(35)39-30(4,5)6/h8-11,24,31H,12-16H2,1-7H3,(H,32,34) |
| InChIKey |
KODSLBBJMROECJ-UHFFFAOYSA-N |
| Molecular Weight |
570.701 g/mol |
| SMILES |
[nH]1c(c(c(c1CC1C(=C(C(N1)=O)CCOC(=S)Oc1ccc(cc1)C)C)C)CCC(=O)OC)C(OC(C)(C)C)=O |
| SPLASH |
splash10-0fk9-0095600000-9bf11c08f383d7a11e74 |
| Source of Spectrum |
K-111-497-0 |
| Wiley ID |
1407691 |
![1H-Pyrrole-3-propanoic acid, 5-[[2,5-dihydro-3-methyl-4-[2-[(4-methylphenoxy)thioxomethoxy]ethyl]- 5-oxo-1H-pyrrol-2-yl]methyl]-2-[(1,1-dimethylethoxy)carbonyl]-4-methyl-, methyl ester, (.+-.)-](/api/spectrum/9KlaCKfpfUv/structure.png?h=300&w=458 "1H-Pyrrole-3-propanoic acid, 5-[[2,5-dihydro-3-methyl-4-[2-[(4-methylphenoxy)thioxomethoxy]ethyl]- 5-oxo-1H-pyrrol-2-yl]methyl]-2-[(1,1-dimethylethoxy)carbonyl]-4-methyl-, methyl ester, (.+-.)-")
