![methyl 2-[[(2R)-2-anilino-5-cyano-pentanoyl]amino]-4-methyl-pentanoate](/api/spectrum/4lFbVE7HSP2/structure.png?h=300&w=458 "methyl 2-[[(2R)-2-anilino-5-cyano-pentanoyl]amino]-4-methyl-pentanoate")
| SpectraBase Compound ID | 94V4MS579b5 |
|---|---|
| InChI | InChI=1S/C19H27N3O3/c1-14(2)13-17(19(24)25-3)22-18(23)16(11-7-8-12-20)21-15-9-5-4-6-10-15/h4-6,9-10,14,16-17,21H,7-8,11,13H2,1-3H3,(H,22,23)/t16-,17?/m1/s1 |
| InChIKey | ANTAVUZAMCAJSA-TZHYSIJRSA-N |
| Mol Weight | 345.44 g/mol |
| Molecular Formula | C19H27N3O3 |
| Exact Mass | 345.205242 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4lFbVE7HSP2 |
|---|---|
| Name | methyl 2-[[(2R)-2-anilino-5-cyano-pentanoyl]amino]-4-methyl-pentanoate |
| Appearance | Yellow oily liquid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H27N3O3 |
| InChI | InChI=1S/C19H27N3O3/c1-14(2)13-17(19(24)25-3)22-18(23)16(11-7-8-12-20)21-15-9-5-4-6-10-15/h4-6,9-10,14,16-17,21H,7-8,11,13H2,1-3H3,(H,22,23)/t16-,17?/m1/s1 |
| InChIKey | ANTAVUZAMCAJSA-TZHYSIJRSA-N |
| Instrument Name | LRMS |
| Ionization Type | EI |
| SMILES | N([C@@](C(=O)NC(C(OC)=O)CC(C)C)(CCCC#N)[H])c1ccccc1 |
| SPLASH | splash10-00di-0900000000-f75e439db7b39b940215 |
| Sample Comments | dr = 1:1 |
| Source of Spectrum | CN114478380A |
| Wiley ID | 1884291 |