Name: Elastatinal
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212689006
Cas No:51798-45-9
常用名:Elastatinal
别名:BRN-0873543, BRN0873543, BRN 0873543
IUPAC:(2S)-2-({[(S)-[(4S)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]({[(1S)-3-carbamoyl-1-{[(2S)-1-oxopropan-2-yl]carbamoyl}propyl]carbamoyl})methyl]carbamoyl}amino)-4-methylpentanoic acid
IUPAC:(2S)-2-({[(S)-[(4S)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]({[(1S)-3-carbamoyl-1-{[(2S)-1-oxopropan-2-yl]carbamoyl}propyl]carbamoyl})methyl]carbamoyl}amino)-4-methylpentanoic acid
InChI key:IJWCGVPEDDQUDE-YGJAXBLXSA-N

分子式:C21H36N8O7
分子量:512.568
氢键供体数 (HBD):8
氢键受体数 (HBA):10
LogP:-4.9214735
SMILES:CC(C)C[C@H](NC(=O)N[C@@H]([C@@H]1CCNC(N)=N1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C=O)C(O)=O |c:15|
SMILES:CC(C)C[C@H](NC(=O)N[C@@H]([C@@H]1CCNC(N)=N1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C=O)C(O)=O |c:15|

Elastatinal is an elastase inhibitor. It is found in culture filtrates of various species of actinomyces.

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