| SpectraBase Spectrum ID |
EQ5N1pf2nai |
| Name |
2-Benzothiazolylthioacetyl L-hydroxyprolyl L-methionine methyl ester |
| Appearance |
Colorless crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H25N3O5S3 |
| InChI |
InChI=1S/C20H25N3O5S3/c1-28-19(27)14(7-8-29-2)21-18(26)15-9-12(24)10-23(15)17(25)11-30-20-22-13-5-3-4-6-16(13)31-20/h3-6,12,14-15,24H,7-11H2,1-2H3,(H,21,26)/t12?,14-,15-/m0/s1 |
| InChIKey |
OZIDNFXPSGOGDS-ZRNAQANOSA-N |
| Instrument Name |
Shimadzu GC-MSQP 1000EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0012.925 |
| Molecular Weight |
483.616 g/mol |
| SMILES |
OC1CN([C@](C(=O)N[C@](C(=O)OC)(CCSC)[H])(C1)[H])C(CSc1nc2c(cccc2)s1)=O |
| SPLASH |
splash10-0a4i-0960300000-e7f9d9d504b8fcd553c6 |
| Source of Spectrum |
ARK-2011-348-7a |
| Thin-Layer Chromatography |
Rf = 0.22 (Chloroform/Methanol, 95:5) |
| Wiley ID |
1864533 |
