Name: Z-DEVD-AFC
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214321087
Cas No:1135416-11-3
常用名:Z-DEVD-AFC
IUPAC:(4S)-4-[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-carboxypropanamido]-4-{[(1S)-1-{[(1S)-2-carboxy-1-{[2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamoyl}butanoic acid
IUPAC:(4S)-4-[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-carboxypropanamido]-4-{[(1S)-1-{[(1S)-2-carboxy-1-{[2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamoyl}butanoic acid
InChI key:JEPURZRNABGOCW-CQUCHYGKSA-N

分子式:C36H38F3N5O14
分子量:821.716
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F |@:1|
SMILES:CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F |@:1|

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