| SpectraBase Spectrum ID |
DYGLH1T0dFI |
| Name |
Propanedioic acid, [3-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-2-propenylidene]-, diethyl ester, [S-(E)]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.179420912 u |
| Formula |
C21H25N3O5 |
| InChI |
InChI=1S/C21H25N3O5/c1-3-28-20(26)16(21(27)29-4-2)9-7-11-23-19(25)17(22)12-14-13-24-18-10-6-5-8-15(14)18/h5-11,13,17,24H,3-4,12,22H2,1-2H3,(H,23,25)/b11-7+/t17-/m0/s1 |
| InChIKey |
PUUYKUQSSYTOBQ-ZBZNSMLMSA-N |
| Molecular Weight |
399.447 g/mol |
| SMILES |
C(C(=O)OCC)(C(=O)OCC)=C\C=C\NC([C@](CC1=CNC2=C1C=CC=C2)(N)[H])=O |
![Propanedioic acid, [3-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-2-propenylidene]-, diethyl ester, [S-(E)]-](/api/spectrum/DYGLH1T0dFI/structure.png?h=300&w=458 "Propanedioic acid, [3-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-2-propenylidene]-, diethyl ester, [S-(E)]-")
