| SpectraBase Spectrum ID |
He9co70h4pO |
| Name |
Methyl (2R,5S)-5-(tert-Butoxycarbonylamino)-3-methyl-2-[(2-bromo-1H-indol-3-yl)methyl]-4-oxo-3-azahexanoate |
| Alternate Name(s) |
Methyl (2R)-3-(2-bromo-1H-indol-3-yl)-2-[{(2S)-2-[(tert-butoxycarbonyl)amino]propanoyl}(methyl)amino]propanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28BrN3O5 |
| InChI |
InChI=1S/C21H28BrN3O5/c1-12(23-20(28)30-21(2,3)4)18(26)25(5)16(19(27)29-6)11-14-13-9-7-8-10-15(13)24-17(14)22/h7-10,12,16,24H,11H2,1-6H3,(H,23,28)/t12-,16+/m0/s1 |
| InChIKey |
LXFLPANSVSXCFU-BLLLJJGKSA-N |
| Molecular Weight |
482.375 g/mol |
| SMILES |
[nH]1c2c(c(C[C@@](N(C([C@@](NC(OC(C)(C)C)=O)(C)[H])=O)C)(C(=O)OC)[H])c1Br)cccc2 |
| SPLASH |
splash10-0zfr-0090300000-b3cb5f60400a15503ef1 |
| Source of Spectrum |
SO-0-204-47 |
| Wiley ID |
872963 |
![Methyl (2R,5S)-5-(tert-Butoxycarbonylamino)-3-methyl-2-[(2-bromo-1H-indol-3-yl)methyl]-4-oxo-3-azahexanoate](/api/spectrum/He9co70h4pO/structure.png?h=300&w=458 "Methyl (2R,5S)-5-(tert-Butoxycarbonylamino)-3-methyl-2-[(2-bromo-1H-indol-3-yl)methyl]-4-oxo-3-azahexanoate")
