9-[2-(4-methoxyphenyl)ethyl]-3-methyl-6-methylidene-12-propan-2-yl-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone
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![9-[2-(4-methoxyphenyl)ethyl]-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/20220812/98b97370ff024de6b83b01b40b8eae01.png "9-[2-(4-methoxyphenyl)ethyl]-3-methyl-6-methylidene-12-propan-2-yl-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone")
9-[2-(4-methoxyphenyl)ethyl]-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:
87105-09-7
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Formula:
C22H29N3O6
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Chemical Name:
9-[2-(4-methoxyphenyl)ethyl]-3-methyl-6-methylidene-12-propan-2-yl-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone
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Synonyms:
(2-amino-4-(4-methoxyphenyl)butanoic acid)-AM toxin I;(L-2-amino-4-(p-methoxxyphenyl)butanoic acid)-AM toxin I;(L-Amb3)-AM toxin I;AM toxin I, (2-amino-4-(4-methoxyphenyl)butanoic acid)-;AM toxin I, AMPBA-;87105-09-7;AM Toxin I, ampba-;(L-Amb3)-AM toxin I;(2-Amino-4-(4-methoxyphenyl)butanoic acid)-AM toxin I;DTXSID801007340;(L-2-Amino-4-(p-methoxxyphenyl)butanoic acid)-AM toxin I;AM Toxin I, (2-amino-4-(4-methoxyphenyl)butanoic acid)-;5,8,11-Trihydroxy-9-[2-(4-methoxyphenyl)ethyl]-3-methyl-6-methylidene-12-(propan-2-yl)-1-oxa-4,7,10-triazacyclododeca-4,7,10-trien-2-one;L-Alanine, N-(2-hydroxy-3-methyl-1-oxobutyl)-gamma-(4-methoxyphenyl)-L-alpha-aminobutyryl-2,3-didehydroalanyl-, (S)-
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CAS No:
9-[2-(4-methoxyphenyl)ethyl]-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:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:431.20563565
Monoisotopic Mass:431.20563565
Topological Polar Surface Area:123
Heavy Atom Count:31
Complexity:699
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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