Name: Type A Allatostatin I acetate
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT212661592
Cas No:
常用名:Type A Allatostatin I acetate
别名:Type A Allatostatin I acetate(123209-95-0 free base)
别名:Type A Allatostatin I acetate(123209-95-0 free base)
IUPAC:(2S)-2-[(2S)-2-{2-[(2S)-2-{[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]acetamido}propanamido]-N-[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-[({[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}methyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-4-[(diaminomethylidene)amino]butyl]pentanediamide; acetic acid
IUPAC:(2S)-2-[(2S)-2-{2-[(2S)-2-{[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]acetamido}propanamido]-N-[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-[({[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}methyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-4-[(diaminomethylidene)amino]butyl]pentanediamide; acetic acid
InChI key:RFKWRKJZYLOIRY-DUSDMSLWSA-N

分子式:C63H98N18O18
分子量:1395.585
氢键供体数 (HBD):18
氢键受体数 (HBA):20
LogP:-7.4108357
SMILES:[#6]-[#6](-[#8])=O.[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6])-[#7])-[#6](-[#7])=O
SMILES:[#6]-[#6](-[#8])=O.[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6])-[#7])-[#6](-[#7])=O

Type A Allatostatin I acetate(123209-95-0 free base) 是一种十三肽。 Allatostatin 是多效性神经肽，用于抑制昆虫保幼激素的合成。

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