| SpectraBase Spectrum ID |
4sLLQy8Phkq |
| Name |
2-[[2-[[7-(4-chlorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]acetyl]amino]-3-phenyl-propionic acid ethyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H28ClN5O5S |
| InChI |
InChI=1S/C27H28ClN5O5S/c1-4-38-25(36)20(14-17-8-6-5-7-9-17)29-21(34)16-39-26-30-23-22(24(35)32(3)27(37)31(23)2)33(26)15-18-10-12-19(28)13-11-18/h5-13,20H,4,14-16H2,1-3H3,(H,29,34) |
| InChIKey |
IGTKENAPLZEUSY-UHFFFAOYSA-N |
| Molecular Weight |
570.064 g/mol |
| SMILES |
N(C(C(=O)OCC)Cc1ccccc1)C(CSc1nc2c([n]1Cc1ccc(cc1)Cl)C(N(C)C(N2C)=O)=O)=O |
| SPLASH |
splash10-004i-6901000000-452b1b5020bb9f4ed5bb |
| Synonyms |
2-[[2-[[7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]-1-oxoethyl]amino]-3-phenylpropanoic acid ethyl ester
Ethyl 2-[2-[7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoylamino]-3-phenyl-propanoate
Ethyl 2-[[2-[7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanylacetyl]amino]-3-phenyl-propanoate |
| Wiley ID |
1444659 |
![2-[[2-[[7-(4-chlorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]acetyl]amino]-3-phenyl-propionic acid ethyl ester](/api/spectrum/4sLLQy8Phkq/structure.png?h=300&w=458 "2-[[2-[[7-(4-chlorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]acetyl]amino]-3-phenyl-propionic acid ethyl ester")
