| SpectraBase Spectrum ID |
LuAVPjUJW9T |
| Name |
Methyl 5(S)-Hydroxy-6(R)-[O-methylglycinyl-N-(trifluoroacetyl)-L-cysteinyl]]-7,9-eicosadienoate |
| Alternate Name(s) |
Methyl (5S,6R,7E,9E)-5-hydroxy-6-{(2S)-2-[[(methoxyamino)acetyl](trifluoroacetyl)amino]-3-sulfanylpropanoyl}-7,9-icosadienoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H47F3N2O7S |
| InChI |
InChI=1S/C29H47F3N2O7S/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-22(24(35)18-16-19-26(37)40-2)27(38)23(21-42)34(25(36)20-33-41-3)28(39)29(30,31)32/h13-15,17,22-24,33,35,42H,4-12,16,18-21H2,1-3H3/b14-13+,17-15+/t22-,23-,24+/m1/s1 |
| InChIKey |
CMLSSDXNCIIZLI-BIRCVDAXSA-N |
| Molecular Weight |
624.757 g/mol |
| SMILES |
O[C@]([C@](C([C@@](CS)(N(C(C(F)(F)F)=O)C(CNOC)=O)[H])=O)(\C=C\C=C\CCCCCCCCCC)[H])(CCCC(=O)OC)[H] |
| SPLASH |
splash10-000f-0033900000-9800e4bdfbbb3c7a928a |
| Source of Spectrum |
J-58-1081-13 |
| Wiley ID |
1411749 |
![Methyl 5(S)-Hydroxy-6(R)-[O-methylglycinyl-N-(trifluoroacetyl)-L-cysteinyl]]-7,9-eicosadienoate](/api/spectrum/LuAVPjUJW9T/structure.png?h=300&w=458 "Methyl 5(S)-Hydroxy-6(R)-[O-methylglycinyl-N-(trifluoroacetyl)-L-cysteinyl]]-7,9-eicosadienoate")
