Name: Ertapenem
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212688997
Cas No:153832-46-3
常用名:Ertapenem
别名:MK-0826, MK0826, MK 0826, Invanz
IUPAC:(4R,5S,6S)-3-{[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC:(4R,5S,6S)-3-{[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
InChI key:JUZNIMUFDBIJCM-ANEDZVCMSA-N

分子式:C22H25N3O7S
分子量:475.52
氢键供体数 (HBD):5
氢键受体数 (HBA):8
LogP:-3.2123687
SMILES:[H][C@@]12[C@@H]([C@@H](C)O)C(=O)N1C(C(O)=O)=C(S[C@@H]1CN[C@@H](C1)C(=O)Nc1cccc(c1)C(O)=O)[C@@H]2C |t:13|
SMILES:[H][C@@]12[C@@H]([C@@H](C)O)C(=O)N1C(C(O)=O)=C(S[C@@H]1CN[C@@H](C1)C(=O)Nc1cccc(c1)C(O)=O)[C@@H]2C |t:13|

Ertapenem is a parenteral carbapenem. It has a broad spectrum of antimicrobial activity. It is highly resistant to inactivation by a wide variety of beta-lactamases.

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