Name: Pepticinnamin E
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212710880
Cas No:147317-36-0
常用名:Pepticinnamin E
IUPAC:[(2R)-3,6-dioxopiperazin-2-yl]methyl (2S)-2-[(2S)-3-(2-chloro-3-hydroxy-4-methoxyphenyl)-2-[(2R)-3-(4-hydroxyphenyl)-N-methyl-2-[(2E)-3-{2-[(1Z)-pent-1-en-1-yl]phenyl}prop-2-enamido]propanamido]-N-methylpropanamido]-3-phenylpropanoate
IUPAC:[(2R)-3,6-dioxopiperazin-2-yl]methyl (2S)-2-[(2S)-3-(2-chloro-3-hydroxy-4-methoxyphenyl)-2-[(2R)-3-(4-hydroxyphenyl)-N-methyl-2-[(2E)-3-{2-[(1Z)-pent-1-en-1-yl]phenyl}prop-2-enamido]propanamido]-N-methylpropanamido]-3-phenylpropanoate
InChI key:FAVCPKLIWNVVMG-AGJVLQOFSA-N

分子式:C49H54ClN5O10
分子量:908.45
氢键供体数 (HBD):5
氢键受体数 (HBA):9
LogP:5.7703366
SMILES:CCC\C=C/c1ccccc1\C=C\C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccc(OC)c(O)c1Cl)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)OC[C@H]1NC(=O)CNC1=O
SMILES:CCC\C=C/c1ccccc1\C=C\C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccc(OC)c(O)c1Cl)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)OC[C@H]1NC(=O)CNC1=O

Pepticinnamin E is a naturally occurring bisubstrate farnesyltransferase inhibitor.

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