| SpectraBase Compound ID | 5wtuSmMLGaK |
|---|---|
| InChI | InChI=1S/C20H28N4O5S/c1-19(2,3)29-18(27)24-20(4,10-14-7-6-8-30-14)17(26)23-15(16(25)28-5)9-13-11-21-12-22-13/h6-8,11-12,15H,9-10H2,1-5H3,(H,21,22)(H,23,26)(H,24,27)/t15-,20+/m0/s1 |
| InChIKey | ODIQVAXOXZGVJM-MGPUTAFESA-N |
| Mol Weight | 436.53 g/mol |
| Molecular Formula | C20H28N4O5S |
| Exact Mass | 436.178041 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3FADiRNJ5Va |
|---|---|
| Name | (S-(R*,R*))-N-(2-(((1,1-DIMETHYL)-ETHOXYCARBONYL)-AMINO)-3-(2-METHYL-(2-THIENYLMETHYL)-1-OXYPROPYL)-HISTIDINE-METHYLESTER |
| Compound Number | 18B |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H28N4O5S |
| InChI | InChI=1S/C20H28N4O5S/c1-19(2,3)29-18(27)24-20(4,10-14-7-6-8-30-14)17(26)23-15(16(25)28-5)9-13-11-21-12-22-13/h6-8,11-12,15H,9-10H2,1-5H3,(H,21,22)(H,23,26)(H,24,27)/t15-,20+/m0/s1 |
| InChIKey | ODIQVAXOXZGVJM-MGPUTAFESA-N |
| Literature Reference Author | CR.NOE,A.WEIGAND,S.PIRKER,P.LIEPERT |
| Literature Reference Citation | MH.CHEM.,128,301(1997) |
| Literature Reference DOI | 10.1007/BF00807896 |
| Molecular Weight | 436.526 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRJ30 |