![(2R)-2-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]pent-4-enoic acid methyl ester](/api/spectrum/12RokWMSLsd/structure.png?h=300&w=458 "(2R)-2-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]pent-4-enoic acid methyl ester")
| SpectraBase Compound ID | KxrYVmQlsgr |
|---|---|
| InChI | InChI=1S/C22H39N3O6/c1-10-11-15(20(28)30-9)23-18(26)16(12-13(2)3)24-19(27)17(14(4)5)25-21(29)31-22(6,7)8/h10,13-17H,1,11-12H2,2-9H3,(H,23,26)(H,24,27)(H,25,29)/t15-,16+,17+/m1/s1 |
| InChIKey | XOZWJZCRBJAVCQ-IKGGRYGDSA-N |
| Mol Weight | 441.6 g/mol |
| Molecular Formula | C22H39N3O6 |
| Exact Mass | 441.283886 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 12RokWMSLsd |
|---|---|
| Name | (2R)-2-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]pent-4-enoic acid methyl ester |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H39N3O6 |
| InChI | InChI=1S/C22H39N3O6/c1-10-11-15(20(28)30-9)23-18(26)16(12-13(2)3)24-19(27)17(14(4)5)25-21(29)31-22(6,7)8/h10,13-17H,1,11-12H2,2-9H3,(H,23,26)(H,24,27)(H,25,29)/t15-,16+,17+/m1/s1 |
| InChIKey | XOZWJZCRBJAVCQ-IKGGRYGDSA-N |
| Literature Reference Author | U.KAZMAIER,S.MAIER |
| Literature Reference Citation | ORG.LETTERS,1,1763(1999) |
| Literature Reference DOI | 10.1021/ol9910262 |
| Molecular Weight | 441.568 g/mol |
| Sample ID | 32919 |
| Solvent | CDCl3 |