(2S,5R,6R)-N-[3-(dimethylamino)propyl]-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide
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![(2S,5R,6R)-N-[3-(dimethylamino)propyl]-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e5f4c82381ab4760b546c0805978262d.png "(2S,5R,6R)-N-[3-(dimethylamino)propyl]-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide")
(2S,5R,6R)-N-[3-(dimethylamino)propyl]-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide
structure -
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CAS No:
105603-45-0
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Formula:
C21H30N4O3S
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Chemical Name:
(2S,5R,6R)-N-[3-(dimethylamino)propyl]-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide
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Synonyms:
N-(3-dimethylaminopropyl)benzylpenicillinamide;N-(3-dimethylaminopropyl)benzylpenicillinamide, 14C-labeled, (2S-(2alpha,5alpha,6beta))-isomer;Pen G-ABP;105603-45-0;Pen G-abp;N-(3-Dimethylaminopropyl)benzylpenicillinamide;DTXSID80909628;N-[3-(Dimethylamino)propyl]-6-[(1-hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboximidic acid
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CAS No:
(2S,5R,6R)-N-[3-(dimethylamino)propyl]-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide Basic Attributes
418.6 g/mol
418.20386201 g/mol
Computed Properties
Molecular Weight:418.6
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:418.20386201
Monoisotopic Mass:418.20386201
Topological Polar Surface Area:107
Heavy Atom Count:29
Complexity:633
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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