2-[20,23-di(butan-2-yl)-17-[N-[1-[1-[1-[2-[N-[1-[2-[1-[1-[1-[1-(carboxymethylimino)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-4-methylsulfanylbutan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-2-hydroxyethyl]imino-1,4-dihydroxy-4-iminobutan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-4-hydroxy-4-imino-1-oxobutan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]-C-hydroxycarbonimidoyl]-5,8,11,14,19,22,25-heptahydroxy-9-(hydroxymethyl)-2-oxo-1,4,7,10,13,18,21,24-octazabicyclo[24.3.0]nonacosa-4,7,10,13,18,21,24-heptaen-6-yl]acetic acid

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

2-[20,23-di(butan-2-yl)-17-[N-[1-[1-[1-[2-[N-[1-[2-[1-[1-[1-[1-(carboxymethylimino)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-4-methylsulfanylbutan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-2-hydroxyethyl]imino-1,4-dihydroxy-4-iminobutan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-4-hydroxy-4-imino-1-oxobutan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]-C-hydroxycarbonimidoyl]-5,8,11,14,19,22,25-heptahydroxy-9-(hydroxymethyl)-2-oxo-1,4,7,10,13,18,21,24-octazabicyclo[24.3.0]nonacosa-4,7,10,13,18,21,24-heptaen-6-yl]acetic acid

英文别名

——

2-[20,23-di(butan-2-yl)-17-[N-[1-[1-[1-[2-[N-[1-[2-[1-[1-[1-[1-(carboxymethylimino)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-4-methylsulfanylbutan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-2-hydroxyethyl]imino-1,4-dihydroxy-4-iminobutan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-4-hydroxy-4-imino-1-oxobutan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]-C-hydroxycarbonimidoyl]-5,8,11,14,19,22,25-heptahydroxy-9-(hydroxymethyl)-2-oxo-1,4,7,10,13,18,21,24-octazabicyclo[24.3.0]nonacosa-4,7,10,13,18,21,24-heptaen-6-yl]acetic acid化学式

CAS

——

化学式

C₉₃H₁₂₉N₂₃O₂₇S

mdl

——

分子量

2033.2

InChiKey

XNBIEFNBLNDRGW-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

-2.3
重原子数：

144
可旋转键数：

45
环数：

7.0
sp3杂化的碳原子比例：

0.53
拓扑面积：

791
氢给体数：

24
氢受体数：

29

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