(2R)-2-[[(2S)-2-amino-5-(carbamoylamino)pentanoyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
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![(2R)-2-[[(2S)-2-amino-5-(carbamoylamino)pentanoyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6d66137f2924476486218e8385c49fc4.png "(2R)-2-[[(2S)-2-amino-5-(carbamoylamino)pentanoyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid")
(2R)-2-[[(2S)-2-amino-5-(carbamoylamino)pentanoyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
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CAS No:
93806-81-6
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Formula:
C16H24N6O9
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Chemical Name:
(2R)-2-[[(2S)-2-amino-5-(carbamoylamino)pentanoyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
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Synonyms:
93806-81-6;L-citrullyl UPOC analog;1-(5'-(L-Citrullyamino)-5'-deoxy-alpha-L-talofuranosyluronic acid)uracil;DTXSID00239712;1-[5'-(L-Citrullyamino)-5'-deoxy-.alpha.-L- talofuranosyluronic acid]uracil;(2R)-2-[[(2S)-2-amino-5-ureido-pentanoyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetic acid;.alpha.-L-Talofuranuronic acid,5-[[2-amino-5-[(aminocarbonyl)amino]-1-oxopentyl]amino]-1,5-dideoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-,(S)-
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CAS No:
(2R)-2-[[(2S)-2-amino-5-(carbamoylamino)pentanoyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid Basic Attributes
444.40 g/mol
444.16047636 g/mol
DTXSID00239712
Computed Properties
Molecular Weight:444.40
XLogP3:-6.4
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:9
Exact Mass:444.16047636
Monoisotopic Mass:444.16047636
Topological Polar Surface Area:247
Heavy Atom Count:31
Complexity:775
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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