Name: d[Cha4]-AVP acetate(500170-27-4 free base)
Rating: 5 (10 reviews)

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HIT ID:HIT212661769
Cas No:
常用名:d[Cha4]-AVP acetate(500170-27-4 free base)
常用名:d[Cha4]-AVP acetate(500170-27-4 free base)
IUPAC:(2S)-2-{[(2S)-1-[(4R,7S,10S,13S,16S)-13-benzyl-7-(carbamoylmethyl)-10-(cyclohexylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}-N-(carbamoylmethyl)-5-[(diaminomethylidene)amino]pentanamide; acetic acid
IUPAC:(2S)-2-{[(2S)-1-[(4R,7S,10S,13S,16S)-13-benzyl-7-(carbamoylmethyl)-10-(cyclohexylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}-N-(carbamoylmethyl)-5-[(diaminomethylidene)amino]pentanamide; acetic acid
InChI key:XAHJJLXVSUJABE-DQBLMNFKSA-N

分子式:C52H75N13O13S2
分子量:1154.37
氢键供体数 (HBD):12
氢键受体数 (HBA):14
LogP:-2.9116342
SMILES:[#6]-[#6](-[#8])=O.[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#16]-[#16]-[#6]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1
SMILES:[#6]-[#6](-[#8])=O.[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#16]-[#16]-[#6]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1

d[Cha4]-AVP acetate(500170-27-4 free base) 是一种有效的选择性人血管加压素 V1B 受体激动剂（V1B、V1A、催产素和 V2 受体的 Ki 值分别为 1.2、151、240 和 750 nM）。刺激 ACTH 和皮质酮分泌，并在体内表现出微不足道的血管加压活性。

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