Name: Ac-VDVAD-AFC
Rating: 5 (10 reviews)

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类似物检索

HIT ID:HIT212876086
Cas No:210344-94-8
常用名:Ac-VDVAD-AFC
IUPAC:(3S)-3-{[(1S)-1-{[(1S)-1-{[(1S)-2-carboxy-1-{[2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-3-[(2S)-2-acetamido-3-methylbutanamido]propanoic acid
IUPAC:(3S)-3-{[(1S)-1-{[(1S)-1-{[(1S)-2-carboxy-1-{[2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-3-[(2S)-2-acetamido-3-methylbutanamido]propanoic acid
InChI key:BKQMJQIAIFEZJR-OIOUIRQFSA-N

分子式:C33H41F3N6O12
分子量:770.716
氢键供体数 (HBD):8
氢键受体数 (HBA):11
LogP:-0.5063367
SMILES:CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F
SMILES:CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F

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