2-(1-bromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-3-methylbutanoic acid
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![2-(1-bromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-3-methylbutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f7b8565f31aa4adaa46ad1443613ad0e.png "2-(1-bromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-3-methylbutanoic acid")
2-(1-bromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-3-methylbutanoic acid
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CAS No:
485389-29-5
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Formula:
C23H20BrNO4
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Chemical Name:
2-(1-bromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-3-methylbutanoic acid
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Synonyms:
2-(1-bromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-3-methylbutanoic acid (non-preferred name);BBL009316;STK268701;AKOS000749283;AKOS022060512;MCULE-4794773210;H3672;ST50853595;2-(1-bromo-16,19-dioxo-15-azahexacyclo[6.6.4.1<15,18>.0<1,17>.0<2,7>.0<9,14>]n onadeca-2,4,6,9(14),10,12-hexaen-15-yl)-3-methylbutanoic acid
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CAS No:
2-(1-bromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-3-methylbutanoic acid Basic Attributes
454.3132
453.058
Computed Properties
Molecular Weight:454.3
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:453.05757
Monoisotopic Mass:453.05757
Topological Polar Surface Area:74.7
Heavy Atom Count:29
Complexity:727
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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