Name: Acetyl-PHF6 amide acetate
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT213840131
Cas No:
常用名:Acetyl-PHF6 amide acetate
别名:Ac-VQIVYK-NH2 acetate, AcPHF6 acetate, Acetyl-PHF6 amide acetate(878663-43-5 free base)
别名:Ac-VQIVYK-NH2 acetate, AcPHF6 acetate, Acetyl-PHF6 amide acetate(878663-43-5 free base)
IUPAC:(2S)-N-[(1S,2S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-methylbutyl]-2-[(2S)-2-acetamido-3-methylbutanamido]pentanediamide; acetic acid
IUPAC:(2S)-N-[(1S,2S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-methylbutyl]-2-[(2S)-2-acetamido-3-methylbutanamido]pentanediamide; acetic acid
InChI key:JXHRFWFVWJRTGW-YNUHNEFWSA-N

分子式:C40H67N9O11
分子量:850.028
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(O)=O.CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(N)=O
SMILES:CC(O)=O.CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(N)=O

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