Name: Speract
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212658703
Cas No:76901-59-2
常用名:Speract
IUPAC:3-[2-(2-aminoacetamido)-3-phenylpropanamido]-3-[(1-{[2-carbamoyl-1-({[({[({1-[(carboxymethyl)carbamoyl]-2-methylpropyl}carbamoyl)methyl]carbamoyl}methyl)carbamoyl]methyl}carbamoyl)ethyl]carbamoyl}-3-methylbutyl)carbamoyl]propanoic acid
IUPAC:3-[2-(2-aminoacetamido)-3-phenylpropanamido]-3-[(1-{[2-carbamoyl-1-({[({[({1-[(carboxymethyl)carbamoyl]-2-methylpropyl}carbamoyl)methyl]carbamoyl}methyl)carbamoyl]methyl}carbamoyl)ethyl]carbamoyl}-3-methylbutyl)carbamoyl]propanoic acid
InChI key:NURUARRJQOZSIF-UHFFFAOYSA-N

分子式:C38H57N11O14
分子量:891.937
氢键供体数 (HBD):13
氢键受体数 (HBA):15
LogP:-9.114657
SMILES:CC(C)CC(NC(=O)C(CC(O)=O)NC(=O)C(Cc1ccccc1)NC(=O)CN)C(=O)NC(CC(N)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)NC(C(C)C)C(=O)NCC(O)=O
SMILES:CC(C)CC(NC(=O)C(CC(O)=O)NC(=O)C(Cc1ccccc1)NC(=O)CN)C(=O)NC(CC(N)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)NC(C(C)C)C(=O)NCC(O)=O

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