(3S,6S,9S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S,45S)-48-[5-amino-3-[[(2Z,4Z)-7-methylocta-2,4-dienoyl]amino]-2,5-dioxopentyl]-24,42-bis(3-aminopropyl)-27-benzyl-3-(3-chloro-4-hydroxyphenyl)-21-[4-[(2R,3S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,30,39-tris[(1R)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracontane-49-carboxamide

分子结构分类

有机化合物 - 有机酸及其衍生物 - 肽模拟物

中文名称

——

中文别名

——

英文名称

(3S,6S,9S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S,45S)-48-[5-amino-3-[[(2Z,4Z)-7-methylocta-2,4-dienoyl]amino]-2,5-dioxopentyl]-24,42-bis(3-aminopropyl)-27-benzyl-3-(3-chloro-4-hydroxyphenyl)-21-[4-[(2R,3S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,30,39-tris[(1R)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracontane-49-carboxamide

英文别名

——

(3S,6S,9S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S,45S)-48-[5-amino-3-[[(2Z,4Z)-7-methylocta-2,4-dienoyl]amino]-2,5-dioxopentyl]-24,42-bis(3-aminopropyl)-27-benzyl-3-(3-chloro-4-hydroxyphenyl)-21-[4-[(2R,3S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,30,39-tris[(1R)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracontane-49-carboxamide化学式

CAS

——

化学式

C₁₂₀H₁₅₅ClN₂₀O₄₀

mdl

——

分子量

2553.1

InChiKey

DQGQKJWQGLQFGI-PXKOHMETSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

-0.4
重原子数：

181
可旋转键数：

36
环数：

10.0
sp3杂化的碳原子比例：

0.45
拓扑面积：

988
氢给体数：

35
氢受体数：

42

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