9-[3-(4-hydroxyphenyl)propyl]-3-methyl-6-methylidene-12-propan-2-yl-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone
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![9-[3-(4-hydroxyphenyl)propyl]-3-methyl-6-methylidene-12-propan-2-yl-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/582f1fffe0064cb9a0ebb862cc518dd0.png "9-[3-(4-hydroxyphenyl)propyl]-3-methyl-6-methylidene-12-propan-2-yl-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone")
9-[3-(4-hydroxyphenyl)propyl]-3-methyl-6-methylidene-12-propan-2-yl-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone
structure -
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CAS No:
57765-94-3
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Formula:
C22H29N3O6
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Chemical Name:
9-[3-(4-hydroxyphenyl)propyl]-3-methyl-6-methylidene-12-propan-2-yl-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone
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Synonyms:
AM toxin III;AM-toxin III;AM Toxin III;AM-Toxin III;57765-94-3;DTXSID50973351;5,8,11-Trihydroxy-9-[3-(4-hydroxyphenyl)propyl]-3-methyl-6-methylidene-12-(propan-2-yl)-1-oxa-4,7,10-triazacyclododeca-4,7,10-trien-2-one;L-Alanine, N-(2,3-didehydro-N-(N-(2-hydroxy-3-methyl-1-oxobutyl)-5-(4-hydroxyphenyl)-L-norvalyl)alanyl)-, kappa-lactone, (S)-
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CAS No:
9-[3-(4-hydroxyphenyl)propyl]-3-methyl-6-methylidene-12-propan-2-yl-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone Basic Attributes
431.5 g/mol
431.20563565 g/mol
Computed Properties
Molecular Weight:431.5
XLogP3:2.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:431.20563565
Monoisotopic Mass:431.20563565
Topological Polar Surface Area:134
Heavy Atom Count:31
Complexity:699
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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