![2-[N-(Benzyloxycarbonyl)-(R)-alanyl-(S)-alanylamino]-4-methylpentan-1-ol](/api/spectrum/Ju8pfZCpuZZ/structure.png?h=300&w=458 "2-[N-(Benzyloxycarbonyl)-(R)-alanyl-(S)-alanylamino]-4-methylpentan-1-ol")
| SpectraBase Compound ID | 7TAvrYkvWZM |
|---|---|
| InChI | InChI=1S/C20H31N3O5/c1-13(2)10-17(11-24)23-19(26)14(3)21-18(25)15(4)22-20(27)28-12-16-8-6-5-7-9-16/h5-9,13-15,17,24H,10-12H2,1-4H3,(H,21,25)(H,22,27)(H,23,26)/t14-,15+,17?/m0/s1 |
| InChIKey | HYUWWPKLFUTUMB-BTPDTDQASA-N |
| Mol Weight | 393.48 g/mol |
| Molecular Formula | C20H31N3O5 |
| Exact Mass | 393.226371 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ju8pfZCpuZZ |
|---|---|
| Name | 2-[N-(Benzyloxycarbonyl)-(R)-alanyl-(S)-alanylamino]-4-methylpentan-1-ol |
| Alternate Name(s) | benzyl (1R)-2-[((1S)-2-{[1-(hydroxymethyl)-3-methylbutyl]amino}-1-methyl-2-oxoethyl)amino]-1-methyl-2-oxoethylcarbamate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H31N3O5 |
| InChI | InChI=1S/C20H31N3O5/c1-13(2)10-17(11-24)23-19(26)14(3)21-18(25)15(4)22-20(27)28-12-16-8-6-5-7-9-16/h5-9,13-15,17,24H,10-12H2,1-4H3,(H,21,25)(H,22,27)(H,23,26)/t14-,15+,17?/m0/s1 |
| InChIKey | HYUWWPKLFUTUMB-BTPDTDQASA-N |
| Molecular Weight | 393.484 g/mol |
| SMILES | N(C([C@](NC(=O)OCc1ccccc1)(C)[H])=O)[C@](C(NC(CO)CC(C)C)=O)(C)[H] |
| SPLASH | splash10-0006-9010000000-544a0e52e4c5d3cc0f4e |
| Source of Spectrum | U-1996-344-19 |
| Wiley ID | 768184 |