3-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid
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![3-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9e7d549b82fd442881748a900e45a09d.png "3-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid")
3-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid
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CAS No:
306730-94-9
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Formula:
C20H18N2O6
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Chemical Name:
3-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid
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Synonyms:
ZINC1803590;STL512438;AKOS000675233;ST50227488;AB00087816-01;N-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}-beta-alanine;3-[(2E)-3-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-2-(phenylcarbonylamino)prop-2-eno ylamino]propanoic acid;306730-94-9
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CAS No:
3-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid Basic Attributes
382.4 g/mol
382.11648630 g/mol
Computed Properties
Molecular Weight:382.4
XLogP3:2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:382.11648630
Monoisotopic Mass:382.11648630
Topological Polar Surface Area:114
Heavy Atom Count:28
Complexity:614
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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