3-[[(E)-3-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]propanoic acid
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![3-[[(E)-3-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/748f7af8efee4bd09c7a64dad2d239d2.png "3-[[(E)-3-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]propanoic acid")
3-[[(E)-3-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]propanoic acid
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CAS No:
332107-25-2
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Formula:
C18H16N2O7
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Chemical Name:
3-[[(E)-3-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]propanoic acid
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Synonyms:
ZINC2127048;STL304807;AKOS022139577;N-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(furan-2-ylcarbonyl)amino]prop-2-enoyl}-beta-alanine;332107-25-2
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CAS No:
3-[[(E)-3-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]propanoic acid Basic Attributes
372.3 g/mol
372.09575085 g/mol
Computed Properties
Molecular Weight:372.3
XLogP3:1.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:372.09575085
Monoisotopic Mass:372.09575085
Topological Polar Surface Area:127
Heavy Atom Count:27
Complexity:607
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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