![4-[(2-Allyloxycarbonylamino-ethyl)-methyl-carbamoyl]-2-decanoylamino-butyric acid benzyl ester](/api/spectrum/ADhct4u9LvP/structure.png?h=300&w=458 "4-[(2-Allyloxycarbonylamino-ethyl)-methyl-carbamoyl]-2-decanoylamino-butyric acid benzyl ester")
| SpectraBase Compound ID | 410Y62XWvWs |
|---|---|
| InChI | InChI=1S/C29H45N3O6/c1-4-6-7-8-9-10-14-17-26(33)31-25(28(35)38-23-24-15-12-11-13-16-24)18-19-27(34)32(3)21-20-30-29(36)37-22-5-2/h5,11-13,15-16,25H,2,4,6-10,14,17-23H2,1,3H3,(H,30,36)(H,31,33) |
| InChIKey | ZSKNHLXOKIQOFZ-UHFFFAOYSA-N |
| Mol Weight | 531.7 g/mol |
| Molecular Formula | C29H45N3O6 |
| Exact Mass | 531.330836 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ADhct4u9LvP |
|---|---|
| Name | 4-[(2-Allyloxycarbonylamino-ethyl)-methyl-carbamoyl]-2-decanoylamino-butyric acid benzyl ester |
| Alternate Name(s) | 5-[methyl-[2-[[oxo(prop-2-enoxy)methyl]amino]ethyl]amino]-5-oxo-2-(1-oxodecylamino)pentanoic acid (phenylmethyl) ester benzyl 2-(decanoylamino)-5-[methyl-[2-(prop-2-enoxycarbonylamino)ethyl]amino]-5-oxopentanoate benzyl 5-[2-(allyloxycarbonylamino)ethyl-methyl-amino]-2-(decanoylamino)-5-oxo-pentanoate (phenylmethyl) 2-(decanoylamino)-5-[methyl-[2-(prop-2-enoxycarbonylamino)ethyl]amino]-5-oxidanylidene-pentanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H45N3O6 |
| InChI | InChI=1S/C29H45N3O6/c1-4-6-7-8-9-10-14-17-26(33)31-25(28(35)38-23-24-15-12-11-13-16-24)18-19-27(34)32(3)21-20-30-29(36)37-22-5-2/h5,11-13,15-16,25H,2,4,6-10,14,17-23H2,1,3H3,(H,30,36)(H,31,33) |
| InChIKey | ZSKNHLXOKIQOFZ-UHFFFAOYSA-N |
| Molecular Weight | 531.694 g/mol |
| SMILES | N(C(CCC(N(CCNC(=O)OCC=C)C)=O)C(OCc1ccccc1)=O)C(=O)CCCCCCCCC |
| SPLASH | splash10-00el-5829210000-0a12bbbc6369909c0b9f |
| Source of Spectrum | G2-5-173-10 |
| Wiley ID | 1705420 |