Name: Neurokinin A(4-10)
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212658709
Cas No:97559-35-8
常用名:Neurokinin A(4-10)
IUPAC:3-amino-3-({1-[(1-{[1-({[(1-{[1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl)carbamoyl]methyl}carbamoyl)-2-methylpropyl]carbamoyl}-2-phenylethyl)carbamoyl]-2-hydroxyethyl}carbamoyl)propanoic acid
IUPAC:3-amino-3-({1-[(1-{[1-({[(1-{[1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl)carbamoyl]methyl}carbamoyl)-2-methylpropyl]carbamoyl}-2-phenylethyl)carbamoyl]-2-hydroxyethyl}carbamoyl)propanoic acid
InChI key:YLVSTHFZZCHRCL-UHFFFAOYSA-N

分子式:C34H54N8O10S
分子量:766.91
氢键供体数 (HBD):10
氢键受体数 (HBA):11
LogP:-4.6764894
SMILES:CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CO)NC(=O)C(N)CC(O)=O)C(C)C)C(N)=O
SMILES:CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CO)NC(=O)C(N)CC(O)=O)C(C)C)C(N)=O

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