![2-(benzyloxycarbonylamino)-5-[bis(tert-butoxycarbonylamino)methyleneamino]-2-(trifluoromethyl)valeric acid methyl ester](/api/spectrum/BFrwkXrKQvf/structure.png?h=300&w=458 "2-(benzyloxycarbonylamino)-5-[bis(tert-butoxycarbonylamino)methyleneamino]-2-(trifluoromethyl)valeric acid methyl ester")
| SpectraBase Compound ID | 7LKwP5oVhGA |
|---|---|
| InChI | InChI=1S/C26H37F3N4O8/c1-23(2,3)40-20(35)31-19(32-21(36)41-24(4,5)6)30-15-11-14-25(18(34)38-7,26(27,28)29)33-22(37)39-16-17-12-9-8-10-13-17/h8-10,12-13H,11,14-16H2,1-7H3,(H,33,37)(H2,30,31,32,35,36) |
| InChIKey | LGAMNCAPTABQQA-UHFFFAOYSA-N |
| Mol Weight | 590.6 g/mol |
| Molecular Formula | C26H37F3N4O8 |
| Exact Mass | 590.256349 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BFrwkXrKQvf |
|---|---|
| Name | 2-(benzyloxycarbonylamino)-5-[bis(tert-butoxycarbonylamino)methyleneamino]-2-(trifluoromethyl)valeric acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H37F3N4O8 |
| InChI | InChI=1S/C26H37F3N4O8/c1-23(2,3)40-20(35)31-19(32-21(36)41-24(4,5)6)30-15-11-14-25(18(34)38-7,26(27,28)29)33-22(37)39-16-17-12-9-8-10-13-17/h8-10,12-13H,11,14-16H2,1-7H3,(H,33,37)(H2,30,31,32,35,36) |
| InChIKey | LGAMNCAPTABQQA-UHFFFAOYSA-N |
| Molecular Weight | 590.597 g/mol |
| SMILES | N(C(CCCN\C(=N/C(OC(C)(C)C)=O)NC(OC(C)(C)C)=O)(C(F)(F)F)C(=O)OC)C(=O)OCc1ccccc1 |
| SPLASH | splash10-01t9-0000900000-25cb859a59fd107bdd81 |
| Source of Spectrum | J-66-132-7 |
| Synonyms | 5-[bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylideneamino]-2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)pentanoic acid methyl ester Methyl 2-(benzyloxycarbonylamino)-5-[bis(tert-butoxycarbonylamino)methyleneamino]-2-(trifluoromethyl)pentanoate Methyl 5-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)pentanoate |
| Wiley ID | 1534197 |