| SpectraBase Spectrum ID |
6bosf0YrNTV |
| Name |
(+)-(5S)-2-Ethoxycarbonyl-1H-indol-3-yl)-2-trifluoroacetamidobutyric acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H17F3N2O5 |
| InChI |
InChI=1S/C17H17F3N2O5/c1-2-27-15(25)13-10(9-5-3-4-6-11(9)21-13)7-8-12(14(23)24)22-16(26)17(18,19)20/h3-6,12,21H,2,7-8H2,1H3,(H,22,26)(H,23,24)/t12-/m0/s1 |
| InChIKey |
HBHRGJCNFKAUCI-LBPRGKRZSA-N |
| Molecular Weight |
386.327 g/mol |
| SMILES |
[nH]1c2ccccc2c(CC[C@@](C(=O)O)(NC(C(F)(F)F)=O)[H])c1C(=O)OCC |
| SPLASH |
splash10-0a4r-0809000000-6457af8141e2517d89a4 |
| Source of Spectrum |
E1-42-452-41 |
| Synonyms |
(2S)-4-(2-ethoxycarbonyl-1H-indol-3-yl)-2-[(2,2,2-trifluoro-1-oxoethyl)amino]butanoic acid
(2S)-4-(2-ethoxycarbonyl-1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
(2S)-4-(2-ethoxycarbonyl-1H-indol-3-yl)-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoic acid |
| Wiley ID |
1552403 |
