HRID235529

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2761549

3-Amino-4-(1H-indol-3-yl)butanoic acid--hydrogen chloride (1/1)

C12H15ClN2O2

结构：COc1cc(CN(C)C(=O)[C@H](Cc2ccccc2)N(CC=O)C(=O)OC(C)(C)C)cc(OC)c1OC

HCID86750256

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CN(C)C(=O)[C@H](Cc2ccccc2)N(CCN[C@H](CC(=O)O)Cc2c[nH]c3ccccc23)C(=O)OC(C)(C)C)cc(OC)c1OC

HCID86750255

未命名化合物

PROCEDURE

实验过程

Prepare by the method of Example 1 using (S)-N-(3,4,5-trimethoxybenzyl)-N-methyl-2-[N'-(t-butoxycarbonyl)-2-oxo-ethylamino]-3-phenyl-propionamide (0.25 g, 1.0 mmol) and (S)-2-(1H-indol-3-yl)-1-carboxymethyl-ethylamine hydrochloride salt ((S)-tryptophan methyl ester hydrochloride salt) (0.41 g, 1.0 mmol). Purify by chromatography eluting sequentially with 1% methanol/dichloromethane and 5% methanol/dichloromethane to give the title compound: TLC Rf =0.83 (silica gel, 10% methanol/dichloromethane).

WORKUP

后处理

customPurify by chromatography
washeluting sequentially with 1% methanol/dichloromethane and 5% methanol/dichloromethane

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f780e2dfa3240c5aa204c2581a303cb
来源数据集: uspto-grants-1997_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05597845
来源说明: uspto-grants-1997_01

反应 SMILES

[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:30]=[C:31]([O:35][CH3:36])[C:32]=1[O:33][CH3:34])[CH2:6][N:7]([CH3:29])[C:8](=[O:28])[C@@H:9]([N:17]([CH2:25][CH:26]=O)[C:18]([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])[CH2:10][C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1.Cl.[NH:38]1[C:46]2[C:41](=[CH:42][CH:43]=[CH:44][CH:45]=2)[C:40]([CH2:47][C@H:48]([NH2:53])[CH2:49][C:50]([OH:52])=[O:51])=[CH:39]1>>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:30]=[C:31]([O:35][CH3:36])[C:32]=1[O:33][CH3:34])[CH2:6][N:7]([CH3:29])[C:8](=[O:28])[C@@H:9]([N:17]([CH2:25][CH2:26][NH:53][C@H:48]([CH2:49][C:50]([OH:52])=[O:51])[CH2:47][C:40]1[C:41]2[C:46](=[CH:45][CH:44]=[CH:43][CH:42]=2)[NH:38][CH:39]=1)[C:18]([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])[CH2:10][C:11]1[CH:12]=[CH:13][CH:14]=[CH:15][CH:16]=1