Name: Maximin 9
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT217584699
Cas No:
常用名:Maximin 9
IUPAC:(3S)-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}pentyl]carbamoyl}-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}-2-phenylethyl]carbamoyl}-3-[(2S)-6-amino-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S)-6-amino-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-{2-[(2S,3S)-2-(2-aminoacetamido)-3-methylpentanamido]acetamido}-5-carbamimidamidopentanamido]hexanamido]-3-phenylpropanamido]-4-methylpentanamido]acetamido}acetamido)-3-methylbutanamido]hexanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]acetamido}-3-methylbutanamido]hexanamido]propanoic acid
IUPAC:(3S)-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}pentyl]carbamoyl}-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}-2-phenylethyl]carbamoyl}-3-[(2S)-6-amino-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S)-6-amino-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-{2-[(2S,3S)-2-(2-aminoacetamido)-3-methylpentanamido]acetamido}-5-carbamimidamidopentanamido]hexanamido]-3-phenylpropanamido]-4-methylpentanamido]acetamido}acetamido)-3-methylbutanamido]hexanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]acetamido}-3-methylbutanamido]hexanamido]propanoic acid
InChI key:PZDVMNWWPDAWDQ-GWOHOFECSA-N

分子式:C137H218N40O33S
分子量:2985.56
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)CN)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
SMILES:CC[C@H](C)[C@H](NC(=O)CN)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

Maximin 9是从Bombina maxima蟾蜍中提取的一种抗菌肽。

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