2-[[2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]acetyl]amino]-3-phenylpropanoic acid
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![2-[[2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]acetyl]amino]-3-phenylpropanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5c049ad93a294a51a58899c0e592aab1.png "2-[[2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]acetyl]amino]-3-phenylpropanoic acid")
2-[[2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]acetyl]amino]-3-phenylpropanoic acid
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CAS No:
80952-40-5
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Formula:
C20H20N2O6
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Chemical Name:
2-[[2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]acetyl]amino]-3-phenylpropanoic acid
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Synonyms:
N-Caffeoylglycine-L-phenylalanine; L-phenylalanine der.;
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CAS No:
2-[[2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]acetyl]amino]-3-phenylpropanoic acid Basic Attributes
384.38300
384.13213636
332542
Computed Properties
Molecular Weight:384.4
XLogP3:1.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:384.13213636
Monoisotopic Mass:384.13213636
Topological Polar Surface Area:136
Heavy Atom Count:28
Complexity:573
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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