| SpectraBase Spectrum ID |
7U116DSGNUY |
| Name |
Malonic acid, thio-, S-ester with N-(2-mercaptoethyl)octanamide |
| Alternate Name(s) |
3-([2-(Octanoylamino)ethyl]sulfanyl)-3-oxopropanoic acid
3-Oxo-3-[2-(1-oxooctylamino)ethylthio]propanoic acid
3-[2-(caprylylamino)ethylthio]-3-keto-propionic acid
3-[2-(octanoylamino)ethylsulfanyl]-3-oxidanylidene-propanoic acid
3-[2-(octanoylamino)ethylsulfanyl]-3-oxopropanoic acid |
| CAS Registry Number |
21044-08-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H23NO4S |
| InChI |
InChI=1S/C13H23NO4S/c1-2-3-4-5-6-7-11(15)14-8-9-19-13(18)10-12(16)17/h2-10H2,1H3,(H,14,15)(H,16,17) |
| InChIKey |
OYARRUNCADYJQA-UHFFFAOYSA-N |
| Molecular Weight |
289.390 g/mol |
| SMILES |
N(C(CCCCCCC)=O)CCSC(CC(O)=O)=O |
| SPLASH |
splash10-052f-9210000000-44ddc9ea0e08ef27deb2 |
| Source of Spectrum |
EP-4761-0-0 |
| Wiley ID |
1292480 |
