AAI-101
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AAI-101
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CAS No:
1001404-83-6
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Formula:
C11H14N4O5S
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Chemical Name:
AAI-101
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Synonyms:
(2S,3S,5R)-3-methyl-3-((3-methyltriazol-3-ium-1-yl)methyl)-4,4,7-trioxo-4"6-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate;1H-1,2,3-triazolium, 3-(((2S,3S,5R)-2-carboxy-3-methyl-4,4-dioxido-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-3-yl)methyl)-1-methyl-, inner salt;AAI101;enmetazobactam;AAI-101;UNII-80VUN7L00C;80VUN7L00C;(2S,3S,5R)-3-methyl-3-((3-methyl-1H-1,2,3-triazol-3-ium-1-yl)methyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide;CHEMBL4458276
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CAS No:
Drug Information
Endogenous substances and drugs that inhibit or block the activity of BETA-LACTAMASES. (See all compounds classified as beta-Lactamase Inhibitors.)
(2S,3S,5R)-3-methyl-3-((3-methyltriazol-3-ium-1-yl)methyl)-4,4,7-trioxo-4'6-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate
Computed Properties
Molecular Weight:314.32
XLogP3:-0.6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:314.06849073
Monoisotopic Mass:314.06849073
Topological Polar Surface Area:125
Heavy Atom Count:21
Complexity:597
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes