| SpectraBase Spectrum ID |
EphPKrNPoGf |
| Name |
Methyl (+)-(2S)-4-(2-ethoxycarbonyl)-1H-indol-3-yl)-2-trifluoroacetoamidobutyrate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H19F3N2O5 |
| InChI |
InChI=1S/C18H19F3N2O5/c1-3-28-16(25)14-11(10-6-4-5-7-12(10)22-14)8-9-13(15(24)27-2)23-17(26)18(19,20)21/h4-7,13,22H,3,8-9H2,1-2H3,(H,23,26)/t13-/m0/s1 |
| InChIKey |
WKXXQIXEBYDCKP-ZDUSSCGKSA-N |
| Molecular Weight |
400.354 g/mol |
| SMILES |
[nH]1c2ccccc2c(CC[C@](NC(C(F)(F)F)=O)(C(=O)OC)[H])c1C(=O)OCC |
| SPLASH |
splash10-0pb9-0900800000-0d83041431c3d3eebca8 |
| Source of Spectrum |
E1-42-452-40 |
| Synonyms |
3-[(3S)-4-methoxy-4-oxo-3-[(2,2,2-trifluoro-1-oxoethyl)amino]butyl]-1H-indole-2-carboxylic acid ethyl ester
ethyl 3-[(3S)-4-methoxy-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]butyl]-1H-indole-2-carboxylate
ethyl 3-[(3S)-4-methoxy-4-oxidanylidene-3-[2,2,2-tris(fluoranyl)ethanoylamino]butyl]-1H-indole-2-carboxylate |
| Wiley ID |
1552404 |
