![(1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[(2'-hydroxy-1'-(S)-tert-buutylethyl)amide]-2-[(2"-hydroxy-1"-(S)-phenylethyl)amide]](/api/spectrum/4wOzvuRdQPO/structure.png?h=300&w=458 "(1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[(2'-hydroxy-1'-(S)-tert-buutylethyl)amide]-2-[(2\"-hydroxy-1\"-(S)-phenylethyl)amide]")
| SpectraBase Compound ID | IQWAFQOxlXi |
|---|---|
| InChI | InChI=1S/C21H32N2O4/c1-21(2,3)18(13-25)23-20(27)16-11-7-10-15(16)19(26)22-17(12-24)14-8-5-4-6-9-14/h4-6,8-9,15-18,24-25H,7,10-13H2,1-3H3,(H,22,26)(H,23,27)/t15-,16-,17+,18+/m0/s1 |
| InChIKey | CKVXMPAGJKXIFD-WNRNVDISSA-N |
| Mol Weight | 376.5 g/mol |
| Molecular Formula | C21H32N2O4 |
| Exact Mass | 376.236208 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4wOzvuRdQPO |
|---|---|
| Name | (1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[(2'-hydroxy-1'-(S)-tert-buutylethyl)amide]-2-[(2"-hydroxy-1"-(S)-phenylethyl)amide] |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32N2O4 |
| InChI | InChI=1S/C21H32N2O4/c1-21(2,3)18(13-25)23-20(27)16-11-7-10-15(16)19(26)22-17(12-24)14-8-5-4-6-9-14/h4-6,8-9,15-18,24-25H,7,10-13H2,1-3H3,(H,22,26)(H,23,27)/t15-,16-,17+,18+/m0/s1 |
| InChIKey | CKVXMPAGJKXIFD-WNRNVDISSA-N |
| Molecular Weight | 376.497 g/mol |
| SMILES | N(C([C@@]1([C@@](C(N[C@](CO)(C(C)(C)C)[H])=O)(CCC1)[H])[H])=O)[C@](CO)(c1ccccc1)[H] |
| SPLASH | splash10-0005-2889000000-87bfd69f17e65bb0dcbf |
| Source of Spectrum | QC-17-629-21 |
| Wiley ID | 1638132 |