Name: Quinupristin (mesylate) (120138-50-3 free base)
Rating: 5 (10 reviews)

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HIT ID:HIT212709220
Cas No:
常用名:Quinupristin (mesylate) (120138-50-3 free base)
常用名:Quinupristin (mesylate) (120138-50-3 free base)
别名:Quinupristin (mesylate)
IUPAC:(3S)-3-({[(3S,6S,12R,15S,16R,19S,22S,25R)-3-{[4-(dimethylamino)phenyl]methyl}-12-ethyl-15-(3-hydroxypyridine-2-amido)-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentaazatricyclo[20.4.0.0^{6,10}]hexacosan-25-yl]methyl}sulfanyl)-1-azabicyclo[2.2.2]octan-1-ium methanesulfonate
IUPAC:(3S)-3-({[(3S,6S,12R,15S,16R,19S,22S,25R)-3-{[4-(dimethylamino)phenyl]methyl}-12-ethyl-15-(3-hydroxypyridine-2-amido)-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentaazatricyclo[20.4.0.0^{6,10}]hexacosan-25-yl]methyl}sulfanyl)-1-azabicyclo[2.2.2]octan-1-ium methanesulfonate
InChI key:ZNQOUMVWYLNQRW-FDQSXSIVSA-N

分子式:C54H71N9O13S2
分子量:1118.33
氢键供体数 (HBD):5
氢键受体数 (HBA):11
LogP:2.1781592
SMILES:CS([O-])(=O)=O.[H][C@@]12CCCN1C(=O)[C@@H](CC)NC(=O)[C@@H](NC(=O)c1ncccc1O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@]1([H])CC(=O)[C@H](CS[C@@H]3C[NH+]4CCC3CC4)CN1C(=O)[C@]([H])(Cc1ccc(cc1)N(C)C)N(C)C2=O)c1ccccc1
SMILES:CS([O-])(=O)=O.[H][C@@]12CCCN1C(=O)[C@@H](CC)NC(=O)[C@@H](NC(=O)c1ncccc1O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@]1([H])CC(=O)[C@H](CS[C@@H]3C[NH+]4CCC3CC4)CN1C(=O)[C@]([H])(Cc1ccc(cc1)N(C)C)N(C)C2=O)c1ccccc1

Quinupristin is a streptogramin antibiotic. Streptogramins, a class of antibiotics, is effective in the treatment of vancomycin-resistant Staphylococcus aureus and vancomycin-resistant Enterococcus, which are two of the most rapidly growing strains of multidrug-resistant bacteria. Streptogramins fall into two groups: streptogramin A and streptogramin B.

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