![N-[S-Benzylcysteinyl]-S-[2-tetrahydropyranyl]cysteine amide](/api/spectrum/6GGuvjfOaNF/structure.png?h=300&w=458 "N-[S-Benzylcysteinyl]-S-[2-tetrahydropyranyl]cysteine amide")
| SpectraBase Compound ID | 8cshL2VKvgd |
|---|---|
| InChI | InChI=1S/C18H27N3O3S2/c19-14(11-25-10-13-6-2-1-3-7-13)18(23)21-15(17(20)22)12-26-16-8-4-5-9-24-16/h1-3,6-7,14-16H,4-5,8-12,19H2,(H2,20,22)(H,21,23) |
| InChIKey | DLASJXJLRPOHEH-UHFFFAOYSA-N |
| Mol Weight | 397.55 g/mol |
| Molecular Formula | C18H27N3O3S2 |
| Exact Mass | 397.149384 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6GGuvjfOaNF |
|---|---|
| Name | N-[S-Benzylcysteinyl]-S-[2-tetrahydropyranyl]cysteine amide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 397.149384086 u |
| Formula | C18H27N3O3S2 |
| InChI | InChI=1S/C18H27N3O3S2/c19-14(11-25-10-13-6-2-1-3-7-13)18(23)21-15(17(20)22)12-26-16-8-4-5-9-24-16/h1-3,6-7,14-16H,4-5,8-12,19H2,(H2,20,22)(H,21,23) |
| InChIKey | DLASJXJLRPOHEH-UHFFFAOYSA-N |
| Molecular Weight | 397.552 g/mol |
| SMILES | C1CCCC(O1)SCC(C(N)=O)NC(=O)C(CSCC1=CC=CC=C1)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.892076 |