| SpectraBase Spectrum ID |
BHvS2scFldH |
| Name |
Alanine, 3-[2-[(2-acetamido-2-carboxyethyl)thio]-3,4-dihydroxyphenyl]-N-acetyl -, diethyl ester, diacetate |
| CAS Registry Number |
28144-24-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H32N2O10S |
| InChI |
InChI=1S/C24H32N2O10S/c1-7-33-23(31)18(25-13(3)27)11-17-9-10-20(35-15(5)29)21(36-16(6)30)22(17)37-12-19(26-14(4)28)24(32)34-8-2/h9-10,18-19H,7-8,11-12H2,1-6H3,(H,25,27)(H,26,28)/t18-,19?/m0/s1 |
| InChIKey |
KESFSTWZVMRPCX-OYKVQYDMSA-N |
| Molecular Weight |
540.584 g/mol |
| SMILES |
N([C@@](Cc1ccc(c(c1SCC(C(=O)OCC)NC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OCC)[H])C(=O)C |
| SPLASH |
splash10-0a4j-0912100000-afadd2dd6dd7ff1c167a |
| Source of Spectrum |
KG-99-979-3 |
| Synonyms |
3-(2-((2-acetamido-2-carboxyethyl)thio)-3,4-diacetoxyphenyl)-N-acetylalanine diethyl ester
Ethyl 2-(acetylamino)-3-{[6-[(2S)-2-(acetylamino)-3-ethoxy-3-oxopropyl]-2,3-bis(acetyloxy)phenyl]sulfanyl}propanoate |
| Wiley ID |
1404595 |
![Alanine, 3-[2-[(2-acetamido-2-carboxyethyl)thio]-3,4-dihydroxyphenyl]-N-acetyl -, diethyl ester, diacetate](/api/spectrum/BHvS2scFldH/structure.png?h=300&w=458 "Alanine, 3-[2-[(2-acetamido-2-carboxyethyl)thio]-3,4-dihydroxyphenyl]-N-acetyl -, diethyl ester, diacetate")
