| SpectraBase Spectrum ID |
JbF9q3HvSOe |
| Name |
N-Acetyl-4-bromo-D-tryptophan Methyl Ester |
| Alternate Name(s) |
methyl (2R)-2-(acetylamino)-3-(4-bromo-1H-indol-3-yl)propanoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H15BrN2O3 |
| InChI |
InChI=1S/C14H15BrN2O3/c1-8(18)17-12(14(19)20-2)6-9-7-16-11-5-3-4-10(15)13(9)11/h3-5,7,12,16H,6H2,1-2H3,(H,17,18)/t12-/m1/s1 |
| InChIKey |
PLBOHIQKQNTUEJ-GFCCVEGCSA-N |
| Molecular Weight |
339.189 g/mol |
| SMILES |
[nH]1c2c(c(C[C@](C(=O)OC)(NC(=O)C)[H])c1)c(ccc2)Br |
| SPLASH |
splash10-03di-0090000000-a004d0e1be6b1d40c80d |
| Source of Spectrum |
O1-55-657-13 |
| Wiley ID |
1591254 |
