| SpectraBase Spectrum ID |
37hm9ZcUcbW |
| Name |
Benzenepropanoic acid, .alpha.-[[2-[[7-[(2-fluorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]acetyl]amino]-, ethyl ester |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H28FN5O5S |
| InChI |
InChI=1S/C27H28FN5O5S/c1-4-38-25(36)20(14-17-10-6-5-7-11-17)29-21(34)16-39-26-30-23-22(24(35)32(3)27(37)31(23)2)33(26)15-18-12-8-9-13-19(18)28/h5-13,20H,4,14-16H2,1-3H3,(H,29,34) |
| InChIKey |
GZTFEZXRWFPLQF-UHFFFAOYSA-N |
| Molecular Weight |
553.609 g/mol |
| SMILES |
N(C(CSc1[n](Cc2c(cccc2)F)c2C(=O)N(C(=O)N(c2n1)C)C)=O)C(Cc1ccccc1)C(OCC)=O |
| SPLASH |
splash10-0a4i-5913010000-144b0cb86f5e74fac240 |
| Source of Spectrum |
IY-1-4626-8 |
| Synonyms |
2-[[2-[[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]-1-oxoethyl]amino]-3-phenylpropanoic acid ethyl ester
Ethyl 2-[[2-[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetyl]amino]-3-phenylpropanoate
Ethyl 2-[[2-[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanylacetyl]amino]-3-phenyl-propanoate
Ethyl 2-[2-[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoylamino]-3-phenyl-propanoate |
| Wiley ID |
1654251 |
![Benzenepropanoic acid, .alpha.-[[2-[[7-[(2-fluorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]acetyl]amino]-, ethyl ester](/api/spectrum/37hm9ZcUcbW/structure.png?h=300&w=458 "Benzenepropanoic acid, .alpha.-[[2-[[7-[(2-fluorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]acetyl]amino]-, ethyl ester")
