(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-pyrrolidin-1-ylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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![(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-pyrrolidin-1-ylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/e00f5eea4e1b4ef08c2555e643c82563.png "(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-pyrrolidin-1-ylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid")
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-pyrrolidin-1-ylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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CAS No:
117516-80-0
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Formula:
C14H21N3O4S
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Chemical Name:
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-pyrrolidin-1-ylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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Synonyms:
4-thia-1-1-azabicyclo(3.2.0)heptane-3,3-dimethyl-6-amino-7-oxo-N(2-(1H-pyrrolyl)acetyl)-2-carboxylic acid;N-pyrrolylpenicillin;N-Pyrrolylpenicillin;117516-80-0;DTXSID20922452;4-Thia-1-1-azabicyclo(3.2.0)heptane-3,3-dimethyl-6-amino-7-oxo-N(2-(1H-pyrrolyl)acetyl)-2-carboxylic acid;6-{[1-Hydroxy-2-(pyrrolidin-1-yl)ethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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CAS No:
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-pyrrolidin-1-ylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Basic Attributes
327.40 g/mol
327.12527733 g/mol
Drug Information
4-thia-1-1-azabicyclo(3.2.0)heptane-3,3-dimethyl-6-amino-7-oxo-N(2-(1H-pyrrolyl)acetyl)-2-carboxylic acid
Computed Properties
Molecular Weight:327.40
XLogP3:-1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:327.12527733
Monoisotopic Mass:327.12527733
Topological Polar Surface Area:115
Heavy Atom Count:22
Complexity:518
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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