![2-[N-(Benzyloxycarbonyl)-(S)-phenylalanylamino]-4-methylbutan-1-al](/api/spectrum/B5KPKeReouN/structure.png?h=300&w=458 "2-[N-(Benzyloxycarbonyl)-(S)-phenylalanylamino]-4-methylbutan-1-al")
| SpectraBase Compound ID | 4XmoZiQbeI5 |
|---|---|
| InChI | InChI=1S/C22H26N2O4/c1-2-9-19(15-25)23-21(26)20(14-17-10-5-3-6-11-17)24-22(27)28-16-18-12-7-4-8-13-18/h3-8,10-13,15,19-20H,2,9,14,16H2,1H3,(H,23,26)(H,24,27)/t19?,20-/m0/s1 |
| InChIKey | AOBOZMWGMALRPM-ANYOKISRSA-N |
| Mol Weight | 382.46 g/mol |
| Molecular Formula | C22H26N2O4 |
| Exact Mass | 382.189257 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B5KPKeReouN |
|---|---|
| Name | 2-[N-(Benzyloxycarbonyl)-(S)-phenylalanylamino]-4-methylbutan-1-al |
| Alternate Name(s) | benzyl (1S)-1-benzyl-2-[(1-formylbutyl)amino]-2-oxoethylcarbamate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H26N2O4 |
| InChI | InChI=1S/C22H26N2O4/c1-2-9-19(15-25)23-21(26)20(14-17-10-5-3-6-11-17)24-22(27)28-16-18-12-7-4-8-13-18/h3-8,10-13,15,19-20H,2,9,14,16H2,1H3,(H,23,26)(H,24,27)/t19?,20-/m0/s1 |
| InChIKey | AOBOZMWGMALRPM-ANYOKISRSA-N |
| Molecular Weight | 382.460 g/mol |
| SMILES | N(C(=O)OCc1ccccc1)[C@](C(NC(C=O)CCC)=O)(Cc1ccccc1)[H] |
| SPLASH | splash10-0006-9000000000-eff21f5e4a06d36f5f09 |
| Source of Spectrum | U-1996-344-9 |
| Wiley ID | 768182 |