Name: MC-Val-Cit-PAB-Amide-TLR7 agonist 4
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT219136392
Cas No:2413016-49-4
常用名:MC-Val-Cit-PAB-Amide-TLR7 agonist 4
常用名:MC-Val-Cit-PAB-Amide-TLR7 agonist 4
别名:MC-Val-Cit-PAB-Amide-TLR7 agonist 4
IUPAC:{4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]-3-methylbutanamido]pentanamido]phenyl}methyl N-(1-{[2-({1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl}oxy)ethyl]carbamoyl}-1-methylethyl)carbamate
IUPAC:{4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]-3-methylbutanamido]pentanamido]phenyl}methyl N-(1-{[2-({1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl}oxy)ethyl]carbamoyl}-1-methylethyl)carbamate
InChI key:ABHUQCRIABWZHT-VPHSWYRMSA-N

分子式:C52H72N12O11
分子量:1041.221
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCNC(=O)C(C)(C)NC(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1
SMILES:CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCNC(=O)C(C)(C)NC(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1

MC-Val-Cit-PAB-Amide-TLR7 agonist 4是一种由 MC-Val-Cit-PAB-Amide 和-TLR7 agonist 4 链接而成的偶联物，可用于研究癌症。

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