| SpectraBase Spectrum ID |
9rCac5v1yvd |
| Name |
Methyl (2rs)-2-[N-(4-methoxy-4-oxobutanoyl)amino]-4-[3'-(methoxycarbonyl)-1'-oxopropyl]homocyseinate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
377.114437871 u |
| Formula |
C15H23NO8S |
| InChI |
InChI=1S/C15H23NO8S/c1-22-12(18)5-4-11(17)16-10(15(21)24-3)8-9-25-14(20)7-6-13(19)23-2/h10H,4-9H2,1-3H3,(H,16,17) |
| InChIKey |
GXRFIYWZSMHGHQ-UHFFFAOYSA-N |
| Molecular Weight |
377.408 g/mol |
| SMILES |
C(C(NC(=O)CCC(=O)OC)CCSC(=O)CCC(=O)OC)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981007 |
![Methyl (2rs)-2-[N-(4-methoxy-4-oxobutanoyl)amino]-4-[3'-(methoxycarbonyl)-1'-oxopropyl]homocyseinate](/api/spectrum/9rCac5v1yvd/structure.png?h=300&w=458 "Methyl (2rs)-2-[N-(4-methoxy-4-oxobutanoyl)amino]-4-[3'-(methoxycarbonyl)-1'-oxopropyl]homocyseinate")
