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【结 构 式】 
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【分子编号】34771 【品名】tert-butyl 3-((2S,5S,8S,11S,14R,17S)-2-amino-17-({(2S)-2-[({(1S)-1-(aminocarbonyl)-5-[(tert-butoxycarbonyl)amino]pentyl}amino)carbonyl]pyrrolidinyl}carbonyl)-22-imino-8,11-bis{3-[(imino{[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]amino}methyl)amino]propyl}-5-isobutyl-14-methyl-3,6,9,12,15-pentaoxo-22-{[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]amino}-4,7,10,13,16,21-hexaazadocos-1-yl)-1H-indole-1-carboxylate 【CA登记号】 |
【 分 子 式 】C98H148N20O21S3 【 分 子 量 】2038.57332 【元素组成】C 57.74% H 7.32% N 13.74% O 16.48% S 4.72% |
合成路线1
该中间体在本合成路线中的序号：(XV)The coupling and deprotection cycles were continued with leucine (XII), N(in)-Boc-tryptophan (XIV), and again N(in)-Boc-tryptophan (XIV) affording peptide resins (XIII), (XV) and (XVI).
| 【1】 Aldrich, J.V.; Murray, T.F.; Wan, Q.; A novel acetylated analogue of dynorphin A-(1-11) amide as a kappa-opioid receptor antagonist. J Med Chem 1999, 42, 16, 3011. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (XI) | 34768 | tert-butyl (5S)-6-amino-5-({[(2S)-1-((2S,5R,8S,11S)-11-amino-16-imino-2,8-bis{3-[(imino{[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]amino}methyl)amino]propyl}-5-methyl-4,7,10-trioxo-16-{[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]amino}-3,6,9,15-tetraazahexadec-1-anoyl)pyrrolidinyl]carbonyl}amino)-6-oxohexylcarbamate | C76H119N17O17S3 | 详情 | 详情 | |
| (XII) | 19934 | (2S)-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-methylpentanoic acid | C21H23NO4 | 详情 | 详情 | |
| (XII) | 34769 | tert-butyl (5S)-6-amino-5-({[(2S)-1-((2S,5R,8S,11S,14S)-14-amino-2,8,11-tris{3-[(imino{[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]amino}methyl)amino]propyl}-5,16-dimethyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazaheptadec-1-anoyl)pyrrolidinyl]carbonyl}amino)-6-oxohexylcarbamate | C82H130N18O18S3 | 详情 | 详情 | |
| (XIV) | 34770 | (2S)-2-[(tert-butoxycarbonyl)[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-(1H-indol-3-yl)propionic acid | C31H30N2O6 | 详情 | 详情 | |
| (XV) | 34771 | tert-butyl 3-((2S,5S,8S,11S,14R,17S)-2-amino-17-({(2S)-2-[({(1S)-1-(aminocarbonyl)-5-[(tert-butoxycarbonyl)amino]pentyl}amino)carbonyl]pyrrolidinyl}carbonyl)-22-imino-8,11-bis{3-[(imino{[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]amino}methyl)amino]propyl}-5-isobutyl-14-methyl-3,6,9,12,15-pentaoxo-22-{[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]amino}-4,7,10,13,16,21-hexaazadocos-1-yl)-1H-indole-1-carboxylate | C98H148N20O21S3 | 详情 | 详情 | |
| (XVI) | 34772 | C114H166N22O24S3 | 详情 | 详情 |