[(5S)-5-ethyl-5-hydroxy-6,10-dioxo-7-oxa-11-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4(9),14,16,18,20-heptaen-17-yl] 3-[3-[3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[3-[1-[3-[4-[(5S,5aR,8aR)-5-hydroxy-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenoxy]-3-oxopropyl]-2,5-dihydroxypyrrol-3-yl]sulfanyl-1-amino-1-oxopropan-2-yl]amino]-6-amino-1-oxohexan-2-yl]amino]-6-amino-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-6-amino-1-oxohexan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-amino-3-oxopropyl]sulfanyl-2,5-dihydroxypyrrol-1-yl]propanoate

分子结构分类

有机化合物 - 木脂素、新木脂素和相关化合物 - 木脂素内酯

中文名称

——

中文别名

——

英文名称

[(5S)-5-ethyl-5-hydroxy-6,10-dioxo-7-oxa-11-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4(9),14,16,18,20-heptaen-17-yl] 3-[3-[3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[3-[1-[3-[4-[(5S,5aR,8aR)-5-hydroxy-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenoxy]-3-oxopropyl]-2,5-dihydroxypyrrol-3-yl]sulfanyl-1-amino-1-oxopropan-2-yl]amino]-6-amino-1-oxohexan-2-yl]amino]-6-amino-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-6-amino-1-oxohexan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-amino-3-oxopropyl]sulfanyl-2,5-dihydroxypyrrol-1-yl]propanoate

英文别名

——

[(5S)-5-ethyl-5-hydroxy-6,10-dioxo-7-oxa-11-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4(9),14,16,18,20-heptaen-17-yl] 3-[3-[3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[3-[1-[3-[4-[(5S,5aR,8aR)-5-hydroxy-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenoxy]-3-oxopropyl]-2,5-dihydroxypyrrol-3-yl]sulfanyl-1-amino-1-oxopropan-2-yl]amino]-6-amino-1-oxohexan-2-yl]amino]-6-amino-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-6-amino-1-oxohexan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-amino-3-oxopropyl]sulfanyl-2,5-dihydroxypyrrol-1-yl]propanoate化学式

CAS

——

化学式

C₁₀₈H₁₃₉N₂₃O₂₈S₃

mdl

——

分子量

2303.6

InChiKey

UTTYKZQUDJSUFL-JBCYYTMPSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

0.6
重原子数：

162
可旋转键数：

64
环数：

14.0
sp3杂化的碳原子比例：

0.46
拓扑面积：

889
氢给体数：

26
氢受体数：

37

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