benzyl (2S,4R)-1-[(2S,9R)-9-(acetylsulfanylmethyl)-10-oxoazecane-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylate
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![benzyl (2S,4R)-1-[(2S,9R)-9-(acetylsulfanylmethyl)-10-oxoazecane-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b42f48c3405e49eca528d4160847b901.png "benzyl (2S,4R)-1-[(2S,9R)-9-(acetylsulfanylmethyl)-10-oxoazecane-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylate")
benzyl (2S,4R)-1-[(2S,9R)-9-(acetylsulfanylmethyl)-10-oxoazecane-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylate
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CAS No:
150126-87-7
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Formula:
C25H34N2O6S
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Chemical Name:
benzyl (2S,4R)-1-[(2S,9R)-9-(acetylsulfanylmethyl)-10-oxoazecane-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylate
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Synonyms:
CGS 25155;CGS-25155;N-((((acetylthio)methyl)-2-oxo-1-azacyclodec-10-yl)carbonyl)-4-hydroxyl-L-proline benzyl ester;Cgs-25155;150126-87-7;Cgs 25155;SCHEMBL489165;DTXSID90933878;benzyl (2S,4R)-1-[(2S,9R)-9-(acetylsulfanylmethyl)-10-oxoazecane-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylate;Benzyl 1-{9-[(acetylsulfanyl)methyl]-10-hydroxy-2,3,4,5,6,7,8,9-octahydroazecine-2-carbonyl}-4-hydroxyprolinate;L-Proline, 1-((9-((acetylthio)methyl)decahydro-10-oxo-2-azecinyl)carbonyl)-4-hydroxy-, phenylmethyl ester, (2S-(2R*(trans),9S*))-;N-((((Acetylthio)methyl)-2-oxo-1-azacyclodec-10-yl)carbonyl)-4-hydroxyl-L-proline benzyl ester
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CAS No:
benzyl (2S,4R)-1-[(2S,9R)-9-(acetylsulfanylmethyl)-10-oxoazecane-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylate Basic Attributes
490.6 g/mol
490.21375798 g/mol
Computed Properties
Molecular Weight:490.6
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:490.21375798
Monoisotopic Mass:490.21375798
Topological Polar Surface Area:138
Heavy Atom Count:34
Complexity:726
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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