| SpectraBase Spectrum ID |
KaQVwB0Tjce |
| Name |
Dimethyl p-trifluoroacetamido{[1,2,3,4,5,6-13C6]benzoyl}-L-glutamate |
| Alternate Name(s) |
(2S)-2-[[oxo-[4-[(2,2,2-trifluoro-1-oxoethyl)amino]phenyl]methyl]amino]pentanedioic acid dimethyl ester
Dimethyl (2S)-2-[[4-[(2,2,2-trifluoroacetyl)amino]benzoyl]amino]pentanedioate
Dimethyl (2S)-2-[[4-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl]carbonylamino]pentanedioate |
| Comments |
Original formula: C10[13C]6H17F3N2O6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H17F3N2O6 |
| InChI |
InChI=1S/C16H17F3N2O6/c1-26-12(22)8-7-11(14(24)27-2)21-13(23)9-3-5-10(6-4-9)20-15(25)16(17,18)19/h3-6,11H,7-8H2,1-2H3,(H,20,25)(H,21,23)/t11-/m0/s1/i3+1,4+1,5+1,6+1,9+1,10+1 |
| InChIKey |
RXRWKOBMLFNNBA-XMLRNRKLSA-N |
| Molecular Weight |
396.269 g/mol |
| SMILES |
N(C(C(F)(F)F)=O)[13c]1[13cH][13cH][13c](C(N[C@](C(=O)OC)(CCC(=O)OC)[H])=O)[13cH][13cH]1 |
| SPLASH |
splash10-00di-0192000000-acee8e211a38e1555c81 |
| Source of Spectrum |
KC-0-1320-22 |
| Wiley ID |
827975 |
![Dimethyl p-trifluoroacetamido{[1,2,3,4,5,6-13C6]benzoyl}-L-glutamate](/api/spectrum/KaQVwB0Tjce/structure.png?h=300&w=458 "Dimethyl p-trifluoroacetamido{[1,2,3,4,5,6-13C6]benzoyl}-L-glutamate")
