| SpectraBase Spectrum ID |
PjkZr8ZoY1 |
| Name |
Methyl 4-methyl-2-({[(4-methyl-6-phenyl-2-pyrimidinyl)sulfanyl]acetyl}amino)pentanoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
387.161662848 u |
| Formula |
C20H25N3O3S |
| InChI |
InChI=1S/C20H25N3O3S/c1-13(2)10-17(19(25)26-4)22-18(24)12-27-20-21-14(3)11-16(23-20)15-8-6-5-7-9-15/h5-9,11,13,17H,10,12H2,1-4H3,(H,22,24) |
| InChIKey |
ULDXLOTXFKBYTG-UHFFFAOYSA-N |
| Molecular Weight |
387.498 g/mol |
| SMILES |
N(C(C(=O)OC)CC(C)C)C(CSC1=NC(C2=CC=CC=C2)=CC(=N1)C)=O |
![Methyl 4-methyl-2-({[(4-methyl-6-phenyl-2-pyrimidinyl)sulfanyl]acetyl}amino)pentanoate](/api/spectrum/PjkZr8ZoY1/structure.png?h=300&w=458 "Methyl 4-methyl-2-({[(4-methyl-6-phenyl-2-pyrimidinyl)sulfanyl]acetyl}amino)pentanoate")
