| SpectraBase Spectrum ID |
CDGKUErK59e |
| Name |
(2S)-3-(1H-indol-3-yl)-2-[[2-(isovalerylamino)benzoyl]amino]propionic acid methyl ester |
| Alternate Name(s) |
(2S)-3-(1H-indol-3-yl)-2-[[[2-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]amino]propanoic acid methyl ester
methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(3-methylbutanoylamino)phenyl]carbonylamino]propanoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H27N3O4 |
| InChI |
InChI=1S/C24H27N3O4/c1-15(2)12-22(28)26-20-11-7-5-9-18(20)23(29)27-21(24(30)31-3)13-16-14-25-19-10-6-4-8-17(16)19/h4-11,14-15,21,25H,12-13H2,1-3H3,(H,26,28)(H,27,29)/t21-/m0/s1 |
| InChIKey |
JUMCEZOUKLXIDM-NRFANRHFSA-N |
| Molecular Weight |
421.497 g/mol |
| SMILES |
N(c1c(C(N[C@@](Cc2c[nH]c3c2cccc3)(C(=O)OC)[H])=O)cccc1)C(=O)CC(C)C |
| SPLASH |
splash10-001i-0900000000-f41dbdc24962aed34b09 |
| Source of Spectrum |
J-65-1029-16 |
| Wiley ID |
1532141 |
![(2S)-3-(1H-indol-3-yl)-2-[[2-(isovalerylamino)benzoyl]amino]propionic acid methyl ester](/api/spectrum/CDGKUErK59e/structure.png?h=300&w=458 "(2S)-3-(1H-indol-3-yl)-2-[[2-(isovalerylamino)benzoyl]amino]propionic acid methyl ester")
