Name: Carbavance
Rating: 5 (10 reviews)

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HIT ID:HIT212715352
Cas No:2031124-72-6
常用名:Carbavance
别名:Vabomere, Meropenem/vaborbactam
IUPAC:(4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid; 2-[(3R,6S)-2-hydroxy-3-[2-(thiophen-2-yl)acetamido]-1,2-oxaborinan-6-yl]acetic acid
IUPAC:(4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid; 2-[(3R,6S)-2-hydroxy-3-[2-(thiophen-2-yl)acetamido]-1,2-oxaborinan-6-yl]acetic acid
InChI key:SDJYWZHQLNEXKV-SSHSFQATSA-N

分子式:C29H41BN4O10S2
分子量:680.6
氢键供体数 (HBD):3
氢键受体数 (HBA):6
LogP:-4.353987
SMILES:OB1O[C@H](CC(O)=O)CC[C@@H]1NC(=O)Cc1cccs1.[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)N(C)C)[C@@H]2C |t:34|
SMILES:OB1O[C@H](CC(O)=O)CC[C@@H]1NC(=O)Cc1cccs1.[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)N(C)C)[C@@H]2C |t:34|

Carbavance, a mixture of Meropenham and Vaborbactam, is intended for adults with complex urinary tract infections (cUTI), including pyelonephritis, a kidney infection caused by certain bacteria.

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