| SpectraBase Compound ID | 4wG0lJmRazy |
|---|---|
| InChI | InChI=1S/C34H52N2O4S/c1-4-14-30(35-24-26-15-8-5-9-16-26)32(37)40-31-23-27-21-22-34(31,33(27,2)3)25-41(38,39)36(28-17-10-6-11-18-28)29-19-12-7-13-20-29/h4-5,8-9,15-16,27-31,35H,1,6-7,10-14,17-25H2,2-3H3/t27-,30-,31?,34-/m0/s1 |
| InChIKey | MPEVMBOABGTFQH-PEESDXMWSA-N |
| Mol Weight | 584.9 g/mol |
| Molecular Formula | C34H52N2O4S |
| Exact Mass | 584.364779 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9iolHMWxKPW |
|---|---|
| Name | (RS)-N-Benzylallylglycine 10-N,N-dicyclohexylosulfamoyl(2R)-isobornyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H52N2O4S |
| InChI | InChI=1S/C34H52N2O4S/c1-4-14-30(35-24-26-15-8-5-9-16-26)32(37)40-31-23-27-21-22-34(31,33(27,2)3)25-41(38,39)36(28-17-10-6-11-18-28)29-19-12-7-13-20-29/h4-5,8-9,15-16,27-31,35H,1,6-7,10-14,17-25H2,2-3H3/t27-,30-,31?,34-/m0/s1 |
| InChIKey | MPEVMBOABGTFQH-PEESDXMWSA-N |
| Molecular Weight | 584.860 g/mol |
| SMILES | N([C@](C(OC1[C@]2(CS(N(C3CCCCC3)C3CCCCC3)(=O)=O)C([C@@](CC2)(C1)[H])(C)C)=O)(CC=C)[H])Cc1ccccc1 |
| SPLASH | splash10-03dl-3901020000-73d63cd60d546f41d52a |
| Source of Spectrum | KD-13-2067-9 |
| Wiley ID | 1635514 |