HRID1957006

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734891

Methyl tryptophanate hydrochloride

C12H15ClN2O2

结构：Cc1cc(C)cc(C(=O)N(C)[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c1

HCID67675232

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)cc(C(=O)N(C)[C@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c1

HCID67674609

未命名化合物

PROCEDURE

实验过程

Coupling of N-(3,5-dimethylbenzoyl)-N-methyl-O-benzyl-(D)-tyrosine (prepared by O-benzylation of N-(3,5-dimethylbenzoyl)-N-methyl-(D)-tyrosine (example 64)) with (L)-tryptophan methyl ester hydrochloride according to example 1 followed by hydrolysis of the methyl ester moiety according to example 12 gives N-(3,5-dimethylbenzoyl)-N-methyl-O-benzyl-(D)-tyrosyl-(L)-tryptophan; FAB-MS m/e 602 (M-H)-.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5c8e86e343a4f9e9a86ba8ac1dd295f
来源数据集: uspto-grants-1998_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05780498
来源说明: uspto-grants-1998_07

反应 SMILES

[CH3:1][C:2]1[CH:3]=[C:4]([CH:35]=[C:36]([CH3:38])[CH:37]=1)[C:5]([N:7]([CH3:34])[C@@H:8]([C:17]([NH:19][C@H:20]([C:31]([OH:33])=[O:32])[CH2:21][C:22]1[C:30]2[C:25](=[CH:26][CH:27]=[CH:28][CH:29]=2)[NH:24][CH:23]=1)=[O:18])[CH2:9][C:10]1[CH:15]=[CH:14][C:13]([OH:16])=[CH:12][CH:11]=1)=[O:6].Cl.COC(=O)[C@H](C[C:46]1[C:54]2[C:49](=[CH:50][CH:51]=[CH:52][CH:53]=2)NC=1)N>>[CH3:1][C:2]1[CH:3]=[C:4]([CH:35]=[C:36]([CH3:38])[CH:37]=1)[C:5]([N:7]([CH3:34])[C@@H:8]([C:17]([NH:19][C@H:20]([C:31]([OH:33])=[O:32])[CH2:21][C:22]1[C:30]2[C:25](=[CH:26][CH:27]=[CH:28][CH:29]=2)[NH:24][CH:23]=1)=[O:18])[CH2:9][C:10]1[CH:15]=[CH:14][C:13]([O:16][CH2:46][C:54]2[CH:49]=[CH:50][CH:51]=[CH:52][CH:53]=2)=[CH:12][CH:11]=1)=[O:6]