(1S,2R,6R,8S,9R)-N-[3-(2-methoxyanilino)-3-oxopropyl]-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
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![(1S,2R,6R,8S,9R)-N-[3-(2-methoxyanilino)-3-oxopropyl]-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6bc603505e844aed866bdaceb5b350a9.png "(1S,2R,6R,8S,9R)-N-[3-(2-methoxyanilino)-3-oxopropyl]-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide")
(1S,2R,6R,8S,9R)-N-[3-(2-methoxyanilino)-3-oxopropyl]-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
structure -
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CAS No:
956611-94-2
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Formula:
C22H30N2O8
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Chemical Name:
(1S,2R,6R,8S,9R)-N-[3-(2-methoxyanilino)-3-oxopropyl]-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
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Synonyms:
ZINC2667102;STL546179;AKOS030495495;MCULE-6818507744;(3aR,5S,5aR,8aS,8bR)-N-{3-[(2-methoxyphenyl)amino]-3-oxopropyl}-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide (non-preferred name);956611-94-2
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CAS No:
(1S,2R,6R,8S,9R)-N-[3-(2-methoxyanilino)-3-oxopropyl]-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide Basic Attributes
450.5 g/mol
450.20021592 g/mol
Computed Properties
Molecular Weight:450.5
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:450.20021592
Monoisotopic Mass:450.20021592
Topological Polar Surface Area:114
Heavy Atom Count:32
Complexity:714
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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