(2S,5R,6R)-6-[[2-[(2S)-2-amino-2-carboxyethyl]sulfanylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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![(2S,5R,6R)-6-[[2-[(2S)-2-amino-2-carboxyethyl]sulfanylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ba593006d4944e96b488aa6339c85c90.png "(2S,5R,6R)-6-[[2-[(2S)-2-amino-2-carboxyethyl]sulfanylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid")
(2S,5R,6R)-6-[[2-[(2S)-2-amino-2-carboxyethyl]sulfanylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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CAS No:
56448-19-2
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Formula:
C13H19N3O6S2
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Chemical Name:
(2S,5R,6R)-6-[[2-[(2S)-2-amino-2-carboxyethyl]sulfanylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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Synonyms:
6-(D)-(((2-amino-2-carboxy)ethylthio)acetamido)penicillanic acid;antibiotic RIT-D 2214;RIT 2214;RIT 2214, (2S-(2alpha,5alpha,6beta(S*)))-isomer;RIT 2214, (2S-(2alpha,5alpha,6beta))-isomer;RIT-2214;Rit 2214;56448-19-2;Antibiotic rit-D 2214;RIT-D 2214;DTXSID30205001;RIT-2214;4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((((2-amino-2-carboxyethyl)thio)acetyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2-alpha,5-alpha,6-beta(R *)))-;(2S,5R,6R)-6-[[2-[(2S)-2-amino-2-carboxyethyl]sulfanylacetyl]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)-6-[[2-[(2S)-2-amino-2-carboxyethyl]sulfanylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Basic Attributes
377.4 g/mol
377.07152768 g/mol
DTXSID30205001
Computed Properties
Molecular Weight:377.4
XLogP3:-2.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:377.07152768
Monoisotopic Mass:377.07152768
Topological Polar Surface Area:201
Heavy Atom Count:24
Complexity:584
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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