| SpectraBase Spectrum ID |
8QDILniEJFq |
| Name |
2-[[2-(2-Benzamido-1-oxoethoxy)-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.135507669 u |
| Formula |
C22H24N2O6S |
| InChI |
InChI=1S/C22H24N2O6S/c1-29-22(28)18(15-31-14-16-8-4-2-5-9-16)24-19(25)13-30-20(26)12-23-21(27)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3,(H,23,27)(H,24,25) |
| InChIKey |
DXBQIZQZYVXZOD-UHFFFAOYSA-N |
| Molecular Weight |
444.502 g/mol |
| SMILES |
C=1C(=CC=CC1)CSCC(NC(COC(CNC(=O)C1=CC=CC=C1)=O)=O)C(OC)=O |
![2-[[2-(2-Benzamido-1-oxoethoxy)-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester](/api/spectrum/8QDILniEJFq/structure.png?h=300&w=458 "2-[[2-(2-Benzamido-1-oxoethoxy)-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester")
