| SpectraBase Spectrum ID |
2PIAwXAMRUk |
| Name |
Methyl (2S)-4-(2-ethoxycarbonyl)-1H-indol-5-yl)-4-oxo-2-trifluoroacetoamidobutyrate |
| Alternate Name(s) |
5-[(3S)-4-methoxy-1,4-dioxo-3-[(2,2,2-trifluoro-1-oxoethyl)amino]butyl]-1H-indole-2-carboxylic acid ethyl ester
ethyl 5-[(3S)-4-methoxy-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]butanoyl]-1H-indole-2-carboxylate
ethyl 5-[(3S)-4-methoxy-4-oxidanylidene-3-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-1H-indole-2-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H17F3N2O6 |
| InChI |
InChI=1S/C18H17F3N2O6/c1-3-29-16(26)12-7-10-6-9(4-5-11(10)22-12)14(24)8-13(15(25)28-2)23-17(27)18(19,20)21/h4-7,13,22H,3,8H2,1-2H3,(H,23,27)/t13-/m0/s1 |
| InChIKey |
MNSYVNRERDYUHP-ZDUSSCGKSA-N |
| Molecular Weight |
414.337 g/mol |
| SMILES |
[nH]1c2c(cc(C(C[C@](NC(C(F)(F)F)=O)(C(=O)OC)[H])=O)cc2)cc1C(=O)OCC |
| SPLASH |
splash10-014i-0090400000-c1d02fbeeed6d875915b |
| Source of Spectrum |
E1-42-452-38 |
| Wiley ID |
1552406 |
