Name: Maximin H3
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT218851746
Cas No:853262-62-1
常用名:Maximin H3
IUPAC:(2S)-N-[(1S)-1-{[(1S)-1-({[({[(1S)-1-{[(1S,2S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S,2S)-1-carbamoyl-2-methylbutyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}-2-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]methyl}carbamoyl)-3-methylbutyl]carbamoyl}ethyl]-2-{2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-{[(2S)-1-{2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-4-methylpentanamido]acetyl}pyrrolidin-2-yl]formamido}-3-methylbutanamido]-4-methylpentanamido]acetamido}-4-methylpentanamido]-3-methylbutanamido]acetamido}butanediamide
IUPAC:(2S)-N-[(1S)-1-{[(1S)-1-({[({[(1S)-1-{[(1S,2S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S,2S)-1-carbamoyl-2-methylbutyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}-2-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]methyl}carbamoyl)-3-methylbutyl]carbamoyl}ethyl]-2-{2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-{[(2S)-1-{2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-4-methylpentanamido]acetyl}pyrrolidin-2-yl]formamido}-3-methylbutanamido]-4-methylpentanamido]acetamido}-4-methylpentanamido]-3-methylbutanamido]acetamido}butanediamide
InChI key:HTNZZFVWRIIQNQ-WWFRRMLJSA-N

分子式:C92H166N24O21
分子量:1944.487
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O
SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O

Maximin H3，源自中华红腹蟾蜍Bombina maxima皮肤分泌，为一种抗菌肽。对Escherichia coli ATCC 25922、Staphylococcus aureus ATCC 2592、Bacillus pyocyaneus CMCC B1010 及Candida albicans ATCC 2002表现出显著抗性，其MIC值依次为20, 10, 20, 5 μg/ml。

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