(2S)-2-[[(2S)-2-amino-4-phenylbutanoyl]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-4-phenylbutanoyl]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/20220811/90b617d3bfde418888ab6e3d19efcf79.png "(2S)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]-2-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid")
(2S)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]-2-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
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CAS No:
86632-63-5
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Formula:
C20H24N4O8
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Chemical Name:
(2S)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]-2-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
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Synonyms:
Homophenylalanyl Uracil Polyoxin C;86632-63-5;DTXSID001006974;(2S)-2-[[(2S)-2-amino-4-phenyl-butanoyl]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-4-phenylbutylidene)amino]-5-deoxyhexofuranuronosyl}-4-hydroxypyrimidin-2(1H)-one
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CAS No:
(2S)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]-2-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid Basic Attributes
448.4 g/mol
448.15941374 g/mol
Computed Properties
Molecular Weight:448.4
XLogP3:-3.5
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:448.15941374
Monoisotopic Mass:448.15941374
Topological Polar Surface Area:192
Heavy Atom Count:32
Complexity:769
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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