| SpectraBase Spectrum ID |
DO6bBZuPY2b |
| Name |
Methyl (2S)-4-(2-ethoxycarbonyl)-1H-indol-3-yl)-4-oxo-2-trifluoroacetoamidobutyrate |
| Alternate Name(s) |
3-[(3S)-4-methoxy-1,4-dioxo-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]butanoyl]-1H-indole-2-carboxylate
ethyl 3-[(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)14-13(9-6-4-5-7-10(9)22-14)12(24)8-11(15(25)28-2)23-17(27)18(19,20)21/h4-7,11,22H,3,8H2,1-2H3,(H,23,27)/t11-/m0/s1 |
| InChIKey |
KBKCITLFWGMLKS-NSHDSACASA-N |
| Molecular Weight |
414.337 g/mol |
| SMILES |
N(C(C(F)(F)F)=O)[C@@](CC(c1c([nH]c2ccccc12)C(=O)OCC)=O)(C(=O)OC)[H] |
| SPLASH |
splash10-014i-0090200000-a05b5271ff5bf6547aba |
| Source of Spectrum |
E1-42-452-39 |
| Wiley ID |
1552405 |
