Name: Bactenecin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315091
Cas No:116229-36-8
常用名:Bactenecin
别名:抗菌肽, Bactenecin, bovine
IUPAC:(2S)-2-{[(4R,7S,10S,13S,19S,22S,25S,28R)-28-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-methylpentanamido]-13,22-bis[(2S)-butan-2-yl]-10,25-bis(3-carbamimidamidopropyl)-6,9,12,15,18,21,24,27-octaoxo-7,16,19-tris(propan-2-yl)-1,2-dithia-5,8,11,14,17,20,23,26-octaazacyclononacosan-4-yl]formamido}-5-carbamimidamidopentanoic acid
IUPAC:(2S)-2-{[(4R,7S,10S,13S,19S,22S,25S,28R)-28-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-methylpentanamido]-13,22-bis[(2S)-butan-2-yl]-10,25-bis(3-carbamimidamidopropyl)-6,9,12,15,18,21,24,27-octaoxo-7,16,19-tris(propan-2-yl)-1,2-dithia-5,8,11,14,17,20,23,26-octaazacyclononacosan-4-yl]formamido}-5-carbamimidamidopentanoic acid
InChI key:RHISNKCGUDDGEG-BMSAYCNMSA-N

分子式:C63H118N24O13S2
分子量:1483.91
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CCCNC(N)=N)NC(=O)[C@@]([H])(NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@]([H])(NC(=O)[C@]([H])(CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)C(C)C)C(C)C)[C@@H](C)CC |@@:99|
SMILES:[H][C@@]1(CCCNC(N)=N)NC(=O)[C@@]([H])(NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@]([H])(NC(=O)[C@]([H])(CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)C(C)C)C(C)C)[C@@H](C)CC |@@:99|

Bactenecin is a cyclic antimicrobial peptide isolated from bovine neutrophils with potent activity against Bacterial and Fungal species.

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