6-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-carbonyl)amino]prop-2-enoyl]amino]hexanoic acid
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![6-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-carbonyl)amino]prop-2-enoyl]amino]hexanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1ee363c099444a1b869a7cdcece40742.png "6-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-carbonyl)amino]prop-2-enoyl]amino]hexanoic acid")
6-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-carbonyl)amino]prop-2-enoyl]amino]hexanoic acid
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CAS No:
304879-31-0
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Formula:
C21H21BrN2O7
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Chemical Name:
6-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-carbonyl)amino]prop-2-enoyl]amino]hexanoic acid
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Synonyms:
ZINC2344757;STK700130;AKOS000506959;304879-31-0;6-{[(2E)-3-(1,3-benzodioxol-5-yl)-2-{[(5-bromofuran-2-yl)carbonyl]amino}prop-2-enoyl]amino}hexanoic acid
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CAS No:
6-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-carbonyl)amino]prop-2-enoyl]amino]hexanoic acid Basic Attributes
493.3 g/mol
492.05321 g/mol
Computed Properties
Molecular Weight:493.3
XLogP3:3.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:492.05321
Monoisotopic Mass:492.05321
Topological Polar Surface Area:127
Heavy Atom Count:31
Complexity:687
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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