| SpectraBase Spectrum ID |
A9MEj96RGe2 |
| Name |
3-[[5-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-hydroxy-3-methoxy-benzyl]thio]propionic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H16N2O5S |
| InChI |
InChI=1S/C15H16N2O5S/c1-22-12-6-9(4-10(7-16)15(17)21)5-11(14(12)20)8-23-3-2-13(18)19/h4-6,20H,2-3,8H2,1H3,(H2,17,21)(H,18,19)/b10-4+ |
| InChIKey |
YYMPEPWCZBKSOU-ONNFQVAWSA-N |
| Molecular Weight |
336.362 g/mol |
| SMILES |
Oc1c(cc(cc1CSCCC(=O)O)\C=C\(C(=O)N)C#N)OC |
| SPLASH |
splash10-0019-0985000000-78ca7d1200715de254d9 |
| Source of Spectrum |
E1-36-3561-22 |
| Synonyms |
3-[[5-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-hydroxy-3-methoxy-phenyl]methylsulfanyl]propanoic acid
3-[[5-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-hydroxy-3-methoxyphenyl]methylthio]propanoic acid
3-[[5-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-3-methoxy-2-oxidanyl-phenyl]methylsulfanyl]propanoic acid |
| Wiley ID |
1574787 |
![3-[[5-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-hydroxy-3-methoxy-benzyl]thio]propionic acid](/api/spectrum/A9MEj96RGe2/structure.png?h=300&w=458 "3-[[5-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-hydroxy-3-methoxy-benzyl]thio]propionic acid")
