(2S)-2-[[(2S)-2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoyl]amino]-2-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
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![(2S)-2-[[(2S)-2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoyl]amino]-2-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/39856e9a79124777b3efa39d73bad8b7.png "(2S)-2-[[(2S)-2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoyl]amino]-2-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid")
(2S)-2-[[(2S)-2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoyl]amino]-2-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
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CAS No:
86632-68-0
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Formula:
C25H26N4O10
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Chemical Name:
(2S)-2-[[(2S)-2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoyl]amino]-2-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
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Synonyms:
86632-68-0;DTXSID501006979;(2S)-2-[[(2S)-2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoyl]amino]-2-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetic acid;1-[5-({2-Amino-1-hydroxy-3-[4-(4-hydroxyphenoxy)phenyl]propylidene}amino)-5-deoxyhexofuranuronosyl]-4-hydroxypyrimidin-2(1H)-one
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CAS No:
(2S)-2-[[(2S)-2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoyl]amino]-2-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid Basic Attributes
542.5 g/mol
542.16489304 g/mol
Computed Properties
Molecular Weight:542.5
XLogP3:-2.7
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:9
Exact Mass:542.16489304
Monoisotopic Mass:542.16489304
Topological Polar Surface Area:221
Heavy Atom Count:39
Complexity:947
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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