Cyclolinopeptide C
HIT212525010
sdf文件结构编辑类似物检索
HIT ID: HIT212525010
Cas No: 222527-65-3
分子式: C56H83N9O10S
分子量: 1074.39
常用名: Cyclolinopeptide C
氢键受体数 (HBA): 10
氢键供体数 (HBD): 7
LogP: 2.111
IUPAC: 24,27-dibenzyl-9,18-bis(butan-2-yl)-15-(2-methanesulfinylethyl)-12-(2-methylpropyl)-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)-15-(2-methanesulfinylethyl)-12-(2-methylpropyl)-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
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(CCS(C)=O)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(CCS(C)=O)NC1=O)C(C)CC)C(C)C
InChI key: AJMNWUJOFAQRLL-UHFFFAOYSA-N
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