 Home > Encyclopedia > 1-ethoxycarbonyloxyethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

1-ethoxycarbonyloxyethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

1-ethoxycarbonyloxyethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate structure

CAS No:
37660-97-2
Formula:
C21H26N2O7S
Chemical Name:
1-ethoxycarbonyloxyethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Synonyms:
bacbenzylpenicillin;37660-97-2;Bacbenzylpenicillin;SCHEMBL7035402;DTXSID70958701;(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 1-(ethoxycarbonyloxy)ethyl ester;4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)- (2S-(2alpha,5alpha,6beta))-, 1-((ethoxycarbonyl)oxy)ethyl ester;N-[2-({1-[(Ethoxycarbonyl)oxy]ethoxy}carbonyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-phenylethanimidic acid

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1-ethoxycarbonyloxyethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Basic Attributes

Molecular Weight：

450.5 g/mol

Exact Mass：

450.14607235 g/mol

Characteristics

PSA：

137 Å²

Drug Information

MeSH Entry Terms：

bacbenzylpenicillin

Computed Properties

Molecular Weight:450.5
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:450.14607235
Monoisotopic Mass:450.14607235
Topological Polar Surface Area:137
Heavy Atom Count:31
Complexity:723
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-ethoxycarbonyloxyethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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