![tert-butyl 2-[[(2R)-2-anilino-5-cyano-pentanoyl]amino]-3-methyl-butanoate](/api/spectrum/G2sN7dH83ID/structure.png?h=300&w=458 "tert-butyl 2-[[(2R)-2-anilino-5-cyano-pentanoyl]amino]-3-methyl-butanoate")
| SpectraBase Compound ID | DGl1cptk7VD |
|---|---|
| InChI | InChI=1S/C21H31N3O3/c1-15(2)18(20(26)27-21(3,4)5)24-19(25)17(13-9-10-14-22)23-16-11-7-6-8-12-16/h6-8,11-12,15,17-18,23H,9-10,13H2,1-5H3,(H,24,25)/t17-,18?/m1/s1 |
| InChIKey | HZJRMKIWAPFDOS-QNSVNVJESA-N |
| Mol Weight | 373.5 g/mol |
| Molecular Formula | C21H31N3O3 |
| Exact Mass | 373.236542 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | G2sN7dH83ID |
|---|---|
| Name | tert-butyl 2-[[(2R)-2-anilino-5-cyano-pentanoyl]amino]-3-methyl-butanoate |
| Appearance | Yellow oily liquid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H31N3O3 |
| InChI | InChI=1S/C21H31N3O3/c1-15(2)18(20(26)27-21(3,4)5)24-19(25)17(13-9-10-14-22)23-16-11-7-6-8-12-16/h6-8,11-12,15,17-18,23H,9-10,13H2,1-5H3,(H,24,25)/t17-,18?/m1/s1 |
| InChIKey | HZJRMKIWAPFDOS-QNSVNVJESA-N |
| Instrument Name | LRMS |
| Ionization Type | EI |
| Molecular Weight | 373.497 g/mol |
| SMILES | N([C@@](C(=O)NC(C(OC(C)(C)C)=O)C(C)C)(CCCC#N)[H])c1ccccc1 |
| SPLASH | splash10-00di-0920000000-043f18b94509d66d0a15 |
| Sample Comments | dr = 1:1 |
| Source of Spectrum | CN114478380A |
| Wiley ID | 1884290 |