| SpectraBase Spectrum ID |
BhJpEgPoJ3E |
| Name |
3-[[6-bromanyl-3-(4-methoxycarbonyl-3-oxidanyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]methylsulfanyl]propanoic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H17BrN2O6S |
| InChI |
InChI=1S/C20H17BrN2O6S/c1-29-20(28)13-4-3-12(9-16(13)24)23-17(10-30-7-6-18(25)26)22-15-5-2-11(21)8-14(15)19(23)27/h2-5,8-9,24H,6-7,10H2,1H3,(H,25,26) |
| InChIKey |
MWKULZQHDOFDKW-UHFFFAOYSA-N |
| Molecular Weight |
493.328 g/mol |
| SMILES |
OC(CCSCC1=Nc2ccc(cc2C(N1c1cc(c(cc1)C(=O)OC)O)=O)Br)=O |
| SPLASH |
splash10-004i-0000900000-22976e653e238cab6922 |
| Source of Spectrum |
Y1-33-264-7 |
| Synonyms |
3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonyl-phenyl)-4-oxo-quinazolin-2-yl]methylsulfanyl]propanoic acid
3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxo-2-quinazolinyl]methylthio]propanoic acid
3-[[6-bromo-3-(4-carbomethoxy-3-hydroxy-phenyl)-4-keto-quinazolin-2-yl]methylthio]propionic acid |
| Wiley ID |
1526230 |
![3-[[6-bromanyl-3-(4-methoxycarbonyl-3-oxidanyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]methylsulfanyl]propanoic acid](/api/spectrum/BhJpEgPoJ3E/structure.png?h=300&w=458 "3-[[6-bromanyl-3-(4-methoxycarbonyl-3-oxidanyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]methylsulfanyl]propanoic acid")
