PREDICTION OF RING CONFORMATIONS OF INDOLACTAMS - CRYSTAL AND SOLUTION STRUCTURES

被引：19

作者：

KAWAI, T ^{[1
]}

ICHINOSE, T ^{[1
]}

TAKEDA, M ^{[1
]}

TOMIOKA, N ^{[1
]}

ENDO, Y ^{[1
]}

YAMAGUCHI, K ^{[1
]}

SHUDO, K ^{[1
]}

ITAI, A ^{[1
]}

机构：

[1] UNIV TOKYO,FAC PHARMACEUT SCI,7-3-1 HONGO,BUNKYO KU,TOKYO 113,JAPAN

来源：

JOURNAL OF ORGANIC CHEMISTRY | 1992年 / 57卷 / 23期

关键词：

D O I：

10.1021/jo00049a020

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

The preferred ring conformations of the nine-membered lactam rings of indolactams, which are extremely sensitive to substituent groups on the ring, were predicted by a high-temperature molecular dynamics calculation method. Two new ring conformations were predicted as preferred ones in two congeners, indolactam G and epiindolactam V. The predicted structures were validated by analyses of the crystal and solution structures by X-ray crystallography and NMR spectroscopy.

引用

页码：6150 / 6155

页数：6

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