3-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]propanoic acid
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![3-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/14b3d158dd3f45e980db1ccbb69f84c2.png "3-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]propanoic acid")
3-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]propanoic acid
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CAS No:
317843-39-3
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Formula:
C19H17BrN2O4
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Chemical Name:
3-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]propanoic acid
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Synonyms:
ZINC2333923;STK700394;AKOS000504967;AB00088104-01;N-{(2E)-3-(4-bromophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}-beta-alanine;317843-39-3
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CAS No:
3-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]propanoic acid Basic Attributes
417.3 g/mol
416.03717 g/mol
Computed Properties
Molecular Weight:417.3
XLogP3:1.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:416.03717
Monoisotopic Mass:416.03717
Topological Polar Surface Area:95.5
Heavy Atom Count:26
Complexity:536
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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