| SpectraBase Compound ID | AeHLbKR3NKZ |
|---|---|
| InChI | InChI=1S/C34H52N2O6S2/c1-5-12-30(35-44(40,41)29-19-17-25(2)18-20-29)32(37)42-31-23-26-21-22-34(31,33(26,3)4)24-43(38,39)36(27-13-8-6-9-14-27)28-15-10-7-11-16-28/h5,17-20,26-28,30-31,35H,1,6-16,21-24H2,2-4H3/t26-,30-,31?,34-/m0/s1 |
| InChIKey | PVTPGOULOLCGKA-KKVAQBEBSA-N |
| Mol Weight | 648.9 g/mol |
| Molecular Formula | C34H52N2O6S2 |
| Exact Mass | 648.32668 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | G8EgKRACvb |
|---|---|
| Name | (R)-N-Tosylallylglycine 10-N,N-dicyclohexylosulfamoyl-(2R)-isobornyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H52N2O6S2 |
| InChI | InChI=1S/C34H52N2O6S2/c1-5-12-30(35-44(40,41)29-19-17-25(2)18-20-29)32(37)42-31-23-26-21-22-34(31,33(26,3)4)24-43(38,39)36(27-13-8-6-9-14-27)28-15-10-7-11-16-28/h5,17-20,26-28,30-31,35H,1,6-16,21-24H2,2-4H3/t26-,30-,31?,34-/m0/s1 |
| InChIKey | PVTPGOULOLCGKA-KKVAQBEBSA-N |
| Molecular Weight | 648.918 g/mol |
| SMILES | N(S(c1ccc(cc1)C)(=O)=O)[C@](C(OC1[C@]2(CS(N(C3CCCCC3)C3CCCCC3)(=O)=O)C([C@@](CC2)(C1)[H])(C)C)=O)(CC=C)[H] |
| SPLASH | splash10-000t-0192003000-6a4e87263e605f5bff58 |
| Source of Spectrum | KD-13-2067-5 |
| Wiley ID | 1635516 |