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【结 构 式】 
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【分子编号】47884 【品名】(2S,3S)-3-([(2S)-2-[((2S)-2-[[(2S)-2-amino-3-(2-methylphenyl)propanoyl]amino]-3,3-dimethylbutanoyl)amino]-4-methylpentanoyl]amino)-2-hydroxyheptanamide 【CA登记号】 |
【 分 子 式 】C29H49N5O5 【 分 子 量 】547.73876 【元素组成】C 63.59% H 9.02% N 12.79% O 14.6% |
合成路线1
该中间体在本合成路线中的序号：(XIII)N-Fmoc-L-leucine (X) was coupled to the resin (IX) by means of TBTU to afford, after Fmoc deprotection with piperidine/DMF, the dipeptide-resin (XI). Sequential chain elongation by coupling with the following protected amino acids: Fmoc-3-methyl-L-valine (A), Fmoc-2-methyl-L-phenylalanine (B), Fmoc-L-glutamic gamma-tert-butyl ester (C), and Fmoc-L-aspartic beta-tert-butyl ester (D), followed by the corresponding Fmoc deprotection steps, furnished the peptide resins (XII), (XIII), (XIV) and (XV), respectively.
| 【1】 Jones, P.S.; Kay, P.B.; Wilson, F.X.; Raynham, T.M.; Hurst, D.N. (Hoffmann-La Roche, Inc.); alpha-Ketoamide derivs.. US 6187905 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (B) | 22255 | (2S)-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-(2-methylphenyl)propionic acid | C25H23NO4 | 详情 | 详情 | |
| (D) | 22260 | (2S)-4-(tert-butoxy)-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-oxobutyric acid | C23H25NO6 | 详情 | 详情 | |
| (A) | 43350 | (2S)-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3,3-dimethylbutyric acid | 132684-60-7 | C21H23NO4 | 详情 | 详情 |
| (IX) | 47880 | (2S,3S)-3-amino-2-hydroxyheptanamide | C7H16N2O2 | 详情 | 详情 | |
| (X) | 19934 | (2S)-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-methylpentanoic acid | C21H23NO4 | 详情 | 详情 | |
| (XI) | 47882 | (2S,3S)-3-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-hydroxyheptanamide | C13H27N3O3 | 详情 | 详情 | |
| (XII) | 47883 | (2S,3S)-3-[((2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-4-methylpentanoyl)amino]-2-hydroxyheptanamide | C19H38N4O4 | 详情 | 详情 | |
| (XIII) | 47884 | (2S,3S)-3-([(2S)-2-[((2S)-2-[[(2S)-2-amino-3-(2-methylphenyl)propanoyl]amino]-3,3-dimethylbutanoyl)amino]-4-methylpentanoyl]amino)-2-hydroxyheptanamide | C29H49N5O5 | 详情 | 详情 | |
| (XIV) | 47885 | tert-butyl (4S,7S,10S,13S,16S)-4-amino-16-[(1S)-2-amino-1-hydroxy-2-oxoethyl]-10-(tert-butyl)-13-isobutyl-7-(2-methylbenzyl)-5,8,11,14-tetraoxo-6,9,12,15-tetraazaicosan-1-oate | C38H64N6O8 | 详情 | 详情 | |
| (XV) | 47886 | tert-butyl (3S,6S,9S,12S,15S,18S)-3-amino-18-[(1S)-2-amino-1-hydroxy-2-oxoethyl]-6-[3-(tert-butoxy)-3-oxopropyl]-12-(tert-butyl)-15-isobutyl-9-(2-methylbenzyl)-4,7,10,13,16-pentaoxo-5,8,11,14,17-pentaazadocosan-1-oate | C46H77N7O11 | 详情 | 详情 | |
| (C) | 22258 | (2S)-5-(tert-butoxy)-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-5-oxopentanoic acid | 104091-08-9 | C24H27NO6 | 详情 | 详情 |