| SpectraBase Spectrum ID |
IxJQ3vHUm6a |
| Name |
4-(Benzyl{[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methyl}amino)-4-oxobutanoic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.184171940 u |
| Formula |
C21H26N2O5 |
| InChI |
InChI=1S/C21H26N2O5/c1-4-28-21(27)20-14(2)17(15(3)22-20)13-23(18(24)10-11-19(25)26)12-16-8-6-5-7-9-16/h5-9,22H,4,10-13H2,1-3H3,(H,25,26) |
| InChIKey |
AMHWCRNRRHKURC-UHFFFAOYSA-N |
| Molecular Weight |
386.448 g/mol |
| SMILES |
C=1(C(=C(C(=O)OCC)NC1C)C)CN(C(=O)CCC(=O)O)CC1=CC=CC=C1 |
![4-(benzyl{[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methyl}amino)-4-oxobutanoic acid](/api/spectrum/IxJQ3vHUm6a/structure.png?h=300&w=458 "4-(benzyl{[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methyl}amino)-4-oxobutanoic acid")
