Name: Disomotide
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212658782
Cas No:181477-43-0
常用名:Disomotide
IUPAC:3-[2-(2-amino-3-methylpentanamido)-4-(methylsulfanyl)butanamido]-3-[(3-carbamoyl-1-{[1-(2-{[1-({1-[(1-carboxy-2-methylpropyl)carbamoyl]-2-hydroxyethyl}carbamoyl)-2-phenylethyl]carbamoyl}pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl}propyl)carbamoyl]propanoic acid
IUPAC:3-[2-(2-amino-3-methylpentanamido)-4-(methylsulfanyl)butanamido]-3-[(3-carbamoyl-1-{[1-(2-{[1-({1-[(1-carboxy-2-methylpropyl)carbamoyl]-2-hydroxyethyl}carbamoyl)-2-phenylethyl]carbamoyl}pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl}propyl)carbamoyl]propanoic acid
InChI key:BDQMCYCLZBSYJZ-UHFFFAOYSA-N

分子式:C47H74N10O14S
分子量:1035.23
氢键供体数 (HBD):12
氢键受体数 (HBA):15
LogP:-4.705341
SMILES:CCC(C)C(N)C(=O)NC(CCSC)C(=O)NC(CC(O)=O)C(=O)NC(CCC(N)=O)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)NC(CO)C(=O)NC(C(C)C)C(O)=O
SMILES:CCC(C)C(N)C(=O)NC(CCSC)C(=O)NC(CC(O)=O)C(=O)NC(CCC(N)=O)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)NC(CO)C(=O)NC(C(C)C)C(O)=O

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