Name: CF3–K11
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219648458
Cas No:3032121-66-4
常用名:CF3–K11
IUPAC:(2S)-6-amino-N-[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-methylbutyl]-2-(2-{N-[(2S)-2-amino-4-methylpentyl]-4-(trifluoromethyl)benzenesulfonamido}acetamido)hexanamide
IUPAC:(2S)-6-amino-N-[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-methylbutyl]-2-(2-{N-[(2S)-2-amino-4-methylpentyl]-4-(trifluoromethyl)benzenesulfonamido}acetamido)hexanamide
InChI key:InChIKey=PCKQRAHXYIIWMC-KDXYNCTASA-N

分子式:C57H102F3N13O10S
分子量:1218.58
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)C[C@H](N)CN(CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)S(=O)(=O)c1ccc(cc1)C(F)(F)F
SMILES:CC(C)C[C@H](N)CN(CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)S(=O)(=O)c1ccc(cc1)C(F)(F)F

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