![Di-[2-Benzothiazolylthioacetyl L-methionyl]benzylidene-1,4-dihydrazone](/api/spectrum/B23uJ8dZd5M/structure.png?h=300&w=458 "Di-[2-Benzothiazolylthioacetyl L-methionyl]benzylidene-1,4-dihydrazone")
| SpectraBase Compound ID | 5T4v2lpG6ra |
|---|---|
| InChI | InChI=1S/C36H38N8O4S6/c1-49-17-15-27(39-31(45)21-51-35-41-25-7-3-5-9-29(25)53-35)33(47)43-37-19-23-11-13-24(14-12-23)20-38-44-34(48)28(16-18-50-2)40-32(46)22-52-36-42-26-8-4-6-10-30(26)54-36/h3-14,19-20,27-28H,15-18,21-22H2,1-2H3,(H,39,45)(H,40,46)(H,43,47)(H,44,48)/b37-19+,38-20+/t27-,28-/m0/s1 |
| InChIKey | XGTNFJDYFMSFSC-FUMTVMOKSA-N |
| Mol Weight | 839.1 g/mol |
| Molecular Formula | C36H38N8O4S6 |
| Exact Mass | 838.134029 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B23uJ8dZd5M |
|---|---|
| Name | Di-[2-Benzothiazolylthioacetyl L-methionyl]benzylidene-1,4-dihydrazone |
| Appearance | Colorless crystals |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H38N8O4S6 |
| InChI | InChI=1S/C36H38N8O4S6/c1-49-17-15-27(39-31(45)21-51-35-41-25-7-3-5-9-29(25)53-35)33(47)43-37-19-23-11-13-24(14-12-23)20-38-44-34(48)28(16-18-50-2)40-32(46)22-52-36-42-26-8-4-6-10-30(26)54-36/h3-14,19-20,27-28H,15-18,21-22H2,1-2H3,(H,39,45)(H,40,46)(H,43,47)(H,44,48)/b37-19+,38-20+/t27-,28-/m0/s1 |
| InChIKey | XGTNFJDYFMSFSC-FUMTVMOKSA-N |
| Instrument Name | Shimadzu GC-MSQP 1000EX |
| Ionization Type | EI |
| Literature Reference DOI | 10.3998/ark.5550190.0012.925 |
| Molecular Weight | 839.112 g/mol |
| SMILES | N([C@](C(N\N=C\c1ccc(\C=N\NC([C@@](NC(CSc2sc3c(n2)cccc3)=O)(CCSC)[H])=O)cc1)=O)(CCSC)[H])C(=O)CSc1sc2c(n1)cccc2 |
| SPLASH | splash10-05o0-0950000000-5eb6c2c41d4624392aee |
| Source of Spectrum | ARK-2011-351-15 |
| Thin-Layer Chromatography | Rf = 0.18 (Chloroform/Methanol, 95:5) |
| Wiley ID | 1864517 |