4-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]butanoic acid
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![4-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8eaebdc4e36d4962a9e5f8080ebd0c54.png "4-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]butanoic acid")
4-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]butanoic acid
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CAS No:
330454-07-4
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Formula:
C21H20N2O6
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Chemical Name:
4-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]butanoic acid
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Synonyms:
ZINC2090735;STL512855;AKOS000548022;ST50237885;SR-01000356929;SR-01000356929-1;330454-07-4;4-({(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}amino)butanoic acid;4-[(2E)-3-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-2-(phenylcarbonylamino)prop-2-eno ylamino]butanoic acid
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CAS No:
4-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]butanoic acid Basic Attributes
396.4 g/mol
396.13213636 g/mol
Computed Properties
Molecular Weight:396.4
XLogP3:2.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:396.13213636
Monoisotopic Mass:396.13213636
Topological Polar Surface Area:114
Heavy Atom Count:29
Complexity:629
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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