3-[(2-Methyl-1-oxopropoxy)methyl]phenyl 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- (2S,5R,6R)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
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![3-[(2-Methyl-1-oxopropoxy)methyl]phenyl 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- (2S,5R,6R)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/59e8fb306a5a43bbb4b8388fb35cdbf5.png "3-[(2-Methyl-1-oxopropoxy)methyl]phenyl 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- (2S,5R,6R)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate")
3-[(2-Methyl-1-oxopropoxy)methyl]phenyl 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- (2S,5R,6R)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
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CAS No:
151287-22-8
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Formula:
C27H30N2O6S
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Chemical Name:
3-[(2-Methyl-1-oxopropoxy)methyl]phenyl 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- (2S,5R,6R)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
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Synonyms:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- (2S,5R,6R)-,3-[(2-methyl-1-oxopropoxy)methyl]phenyl ester;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-[2S-(2α,5α,6β)]-,3-[(2-methyl-1-oxopropoxy)methyl]phenyl ester;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-,3-[(2-methyl-1-oxopropoxy)methyl]phenyl ester;3-[(2-Methyl-1-oxopropoxy)methyl]phenyl 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- (2S,5R,6R)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;Tobicillin;186414-05-1
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CAS No:
3-[(2-Methyl-1-oxopropoxy)methyl]phenyl 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- (2S,5R,6R)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Basic Attributes
510.6 g/mol
510.60
2P43Z53ESB
DTXSID3057648
Computed Properties
Molecular Weight:510.6
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:510.18245785
Monoisotopic Mass:510.18245785
Topological Polar Surface Area:127
Heavy Atom Count:36
Complexity:855
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Learn More Other Chemicals
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4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- (2S,5R,6R)-, compd. with 2,5-diphenylpiperazine (2:1)
7009-88-3
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4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- (2S,5R,6R)-, 4-oxide, (4S)-
34104-15-9
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