![3-[N-(Benzyloxycarbonyl)-(S)-alanyl-(S)-alanyl-amino]-5-methylhexan-2-ol](/api/spectrum/J00UCSEZRBD/structure.png?h=300&w=458 "3-[N-(Benzyloxycarbonyl)-(S)-alanyl-(S)-alanyl-amino]-5-methylhexan-2-ol")
| SpectraBase Compound ID | 8TUfTHWG37B |
|---|---|
| InChI | InChI=1S/C21H33N3O5/c1-13(2)11-18(16(5)25)24-20(27)14(3)22-19(26)15(4)23-21(28)29-12-17-9-7-6-8-10-17/h6-10,13-16,18,25H,11-12H2,1-5H3,(H,22,26)(H,23,28)(H,24,27)/t14-,15-,16?,18?/m0/s1 |
| InChIKey | FTCKYRRXGQGYIT-WMTDPASSSA-N |
| Mol Weight | 407.5 g/mol |
| Molecular Formula | C21H33N3O5 |
| Exact Mass | 407.242021 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | J00UCSEZRBD |
|---|---|
| Name | 3-[N-(Benzyloxycarbonyl)-(S)-alanyl-(S)-alanyl-amino]-5-methylhexan-2-ol |
| Alternate Name(s) | benzyl (1S)-2-[((1S)-2-{[1-(1-hydroxyethyl)-3-methylbutyl]amino}-1-methyl-2-oxoethyl)amino]-1-methyl-2-oxoethylcarbamate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H33N3O5 |
| InChI | InChI=1S/C21H33N3O5/c1-13(2)11-18(16(5)25)24-20(27)14(3)22-19(26)15(4)23-21(28)29-12-17-9-7-6-8-10-17/h6-10,13-16,18,25H,11-12H2,1-5H3,(H,22,26)(H,23,28)(H,24,27)/t14-,15-,16?,18?/m0/s1 |
| InChIKey | FTCKYRRXGQGYIT-WMTDPASSSA-N |
| Molecular Weight | 407.511 g/mol |
| SMILES | N(C([C@@](NC([C@@](NC(=O)OCc1ccccc1)(C)[H])=O)(C)[H])=O)C(C(O)C)CC(C)C |
| SPLASH | splash10-000f-9010000000-a3c42ca4cb468ad8a157 |
| Source of Spectrum | U-1996-346-31 |
| Wiley ID | 768167 |