| SpectraBase Spectrum ID |
LGmd7V2T1GE |
| Name |
Methyl threo-3-[ 5'-benzyl-3'-amino-2'-thienylthio)-2-hydroxy-3-( 4'-methoxyphenyl) propionate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H23NO4S2 |
| InChI |
InChI=1S/C22H23NO4S2/c1-26-16-10-8-15(9-11-16)20(19(24)21(25)27-2)29-22-18(23)13-17(28-22)12-14-6-4-3-5-7-14/h3-11,13,19-20,24H,12,23H2,1-2H3 |
| InChIKey |
QQSGWSAZFOSCIW-UHFFFAOYSA-N |
| Molecular Weight |
429.549 g/mol |
| SMILES |
OC(C(Sc1c(cc(s1)Cc1ccccc1)N)c1ccc(cc1)OC)C(=O)OC |
| SPLASH |
splash10-00di-0900000000-2c645c7fc50d8f55f9ac |
| Source of Spectrum |
AH-126-576-20 |
| Synonyms |
methyl 3-[(3-amino-5-benzyl-2-thienyl)sulfanyl]-2-hydroxy-3-(4-methoxyphenyl)propanoate |
| Wiley ID |
1381142 |
