(2S,5R,6R)-6-[[(2R)-2-[[2-(4-Chlorophenoxy)-2-methyl-1-oxopropyl]amino]-2-phenylacetyl]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-[[(2R)-2-[[2-(4-Chlorophenoxy)-2-methyl-1-oxopropyl]amino]-2-phenylacetyl]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/20220812/cc8947497f7b4aafad74ebe2ed05c59c.png "(2S,5R,6R)-6-[[(2R)-2-[[2-(4-Chlorophenoxy)-2-methyl-1-oxopropyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid")
(2S,5R,6R)-6-[[(2R)-2-[[2-(4-Chlorophenoxy)-2-methyl-1-oxopropyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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CAS No:
51154-48-4
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Formula:
C26H28ClN3O6S
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Chemical Name:
(2S,5R,6R)-6-[[(2R)-2-[[2-(4-Chlorophenoxy)-2-methyl-1-oxopropyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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Synonyms:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-[[(2R)-2-[[2-(4-chlorophenoxy)-2-methyl-1-oxopropyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-,(2S,5R,6R)-;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-[[[[2-(4-chlorophenoxy)-2-methyl-1-oxopropyl]amino]phenylacetyl]amino]-3,3-dimethyl-7-oxo-,[2S-[2α,5α,6β(S*)]]-;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-[[(2R)-[[2-(4-chlorophenoxy)-2-methyl-1-oxopropyl]amino]phenylacetyl]amino]-3,3-dimethyl-7-oxo-,(2S,5R,6R)-;(2S,5R,6R)-6-[[(2R)-2-[[2-(4-Chlorophenoxy)-2-methyl-1-oxopropyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;Fibracillin
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CAS No:
(2S,5R,6R)-6-[[(2R)-2-[[2-(4-Chlorophenoxy)-2-methyl-1-oxopropyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Basic Attributes
546.0 g/mol
546.03
257-021-5
VSM36G5OTK
DTXSID90199179
Computed Properties
Molecular Weight:546.0
XLogP3:3.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:545.1387345
Monoisotopic Mass:545.1387345
Topological Polar Surface Area:150
Heavy Atom Count:37
Complexity:916
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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