Name: Calpinactam
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214322115
Cas No:1205538-83-5
常用名:Calpinactam
IUPAC:(4R)-4-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-phenylpropanamido]-4-methylpentanamido]-3-(1H-imidazol-5-yl)propanamido]-4-{[(1R,2S)-2-methyl-1-{[(3S)-2-oxoazepan-3-yl]carbamoyl}butyl]carbamoyl}butanoic acid
IUPAC:(4R)-4-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-phenylpropanamido]-4-methylpentanamido]-3-(1H-imidazol-5-yl)propanamido]-4-{[(1R,2S)-2-methyl-1-{[(3S)-2-oxoazepan-3-yl]carbamoyl}butyl]carbamoyl}butanoic acid
InChI key:GPDRWULXOJRYOR-XHGFRBTRSA-N

分子式:C38H57N9O8
分子量:767.929
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H]1CCCCNC1=O
SMILES:CC[C@H](C)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H]1CCCCNC1=O

Calpinactam is a fungal metabolite originally isolated from M. alpina that has antimycobacterial activity. It is active against M. smegmatis (MIC = 0.78 μg/ml) but not a panel of 13 other bacteria and fungi. Calpinactam increases survival in a silkworm model of M. smegmatis infection (ED50 = 5 μg/larva).

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