| SpectraBase Compound ID | 32LvrZFaukL |
|---|---|
| InChI | InChI=1S/C35H54N2O6S/c1-5-42-33(39)36-31(25(2)26-15-9-6-10-16-26)32(38)43-30-23-27-21-22-35(30,34(27,3)4)24-44(40,41)37(28-17-11-7-12-18-28)29-19-13-8-14-20-29/h6,9-10,15-16,25,27-31H,5,7-8,11-14,17-24H2,1-4H3,(H,36,39)/t25-,27-,30-,31+,35-/m0/s1 |
| InChIKey | TXDBHYMUNMOCAM-WUFXZBDNSA-N |
| Mol Weight | 630.9 g/mol |
| Molecular Formula | C35H54N2O6S |
| Exact Mass | 630.370259 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1LnpriPZndg |
|---|---|
| Name | (1R,2S,4S)-10-(N,N-Dicyclohexylaminosulfonyl)born-2-yl (2R,3S)-N-(ethoxcycarbonyl-.beta.-methylphenylalaninate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H54N2O6S |
| InChI | InChI=1S/C35H54N2O6S/c1-5-42-33(39)36-31(25(2)26-15-9-6-10-16-26)32(38)43-30-23-27-21-22-35(30,34(27,3)4)24-44(40,41)37(28-17-11-7-12-18-28)29-19-13-8-14-20-29/h6,9-10,15-16,25,27-31H,5,7-8,11-14,17-24H2,1-4H3,(H,36,39)/t25-,27-,30-,31+,35-/m0/s1 |
| InChIKey | TXDBHYMUNMOCAM-WUFXZBDNSA-N |
| Molecular Weight | 630.885 g/mol |
| SMILES | N([C@@](C(O[C@@]1([C@]2(CS(N(C3CCCCC3)C3CCCCC3)(=O)=O)C([C@@](CC2)(C1)[H])(C)C)[H])=O)([C@](c1ccccc1)(C)[H])[H])C(=O)OCC |
| SPLASH | splash10-001i-2936020000-a10addaf845afa9516be |
| Source of Spectrum | QC-5-477-7 |
| Wiley ID | 883472 |