Name: Lysobactin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212711016
Cas No:118374-47-3
常用名:Lysobactin
别名:Katanosin B, Katanosin A, 7-L-isoleucine-
别名:Katanosin B, Katanosin A, 7-L-isoleucine-
IUPAC:(2S)-2-[(2R)-2-amino-4-methylpentanamido]-N-[(3S,6S,12S,15S,18R,21S,24S,27S,28R)-15-[(2S)-butan-2-yl]-18-(3-carbamimidamidopropyl)-6-[(S)-carbamoyl(hydroxy)methyl]-24-[(1R)-1-hydroxy-2-methylpropyl]-12-[(1S)-1-hydroxyethyl]-3-(hydroxymethyl)-21-(2-methylpropyl)-2,5,8,11,14,17,20,23,26-nonaoxo-28-phenyl-1-oxa-4,7,10,13,16,19,22,25-octaazacyclooctacosan-27-yl]-4-methylpentanamide
IUPAC:(2S)-2-[(2R)-2-amino-4-methylpentanamido]-N-[(3S,6S,12S,15S,18R,21S,24S,27S,28R)-15-[(2S)-butan-2-yl]-18-(3-carbamimidamidopropyl)-6-[(S)-carbamoyl(hydroxy)methyl]-24-[(1R)-1-hydroxy-2-methylpropyl]-12-[(1S)-1-hydroxyethyl]-3-(hydroxymethyl)-21-(2-methylpropyl)-2,5,8,11,14,17,20,23,26-nonaoxo-28-phenyl-1-oxa-4,7,10,13,16,19,22,25-octaazacyclooctacosan-27-yl]-4-methylpentanamide
InChI key:KQMKBWMQSNKASI-AVSFGBOWSA-N

分子式:C58H97N15O17
分子量:1276.502
氢键供体数 (HBD):19
氢键受体数 (HBA):20
LogP:-5.0879874
SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CC(C)C)[C@H](OC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC1=O)[C@H](C)O)[C@H](O)C(N)=O)c1ccccc1)[C@H](O)C(C)C
SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CC(C)C)[C@H](OC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC1=O)[C@H](C)O)[C@H](O)C(N)=O)c1ccccc1)[C@H](O)C(C)C

Lysobactin, also known as katanosin B, is an effective antibiotic with in vivo efficacy against Staphylococcus aureus and Streptococcus pneumoniae. It was previously shown to inhibit peptidoglycan (PG) biosynthesis.

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