Name: Cyclolinopeptide B
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212525011
Cas No:193139-41-2
常用名:Cyclolinopeptide B
IUPAC:24,27-dibenzyl-9,18-bis(butan-2-yl)-12-(2-methylpropyl)-15-[2-(methylsulfanyl)ethyl]-21-(propan-2-yl)-1,7,10,13,16,19,22,25,28-nonaazatricyclo[28.3.0.0^{3,7}]tritriacontane-2,8,11,14,17,20,23,26,29-nonone
IUPAC:24,27-dibenzyl-9,18-bis(butan-2-yl)-12-(2-methylpropyl)-15-[2-(methylsulfanyl)ethyl]-21-(propan-2-yl)-1,7,10,13,16,19,22,25,28-nonaazatricyclo[28.3.0.0^{3,7}]tritriacontane-2,8,11,14,17,20,23,26,29-nonone
InChI key:BRDMGDLQYNAXNM-UHFFFAOYSA-N

分子式:C56H83N9O9S
分子量:1058.39
氢键供体数 (HBD):7
氢键受体数 (HBA):9
LogP:4.486
SMILES:CCC(C)C1NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)C2CCCN2C(=O)C2CCCN2C(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CCSC)NC1=O)C(C)CC)C(C)C
SMILES:CCC(C)C1NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)C2CCCN2C(=O)C2CCCN2C(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CCSC)NC1=O)C(C)CC)C(C)C

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