(2S)-2-[[(2S)-2-amino-7-(heptylamino)-7-oxoheptanoyl]amino]-2-[(2R,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-7-(heptylamino)-7-oxoheptanoyl]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/20220812/e5e276b9e3fd4151ae8993a0b8d75ae8.png "(2S)-2-[[(2S)-2-amino-7-(heptylamino)-7-oxoheptanoyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid")
(2S)-2-[[(2S)-2-amino-7-(heptylamino)-7-oxoheptanoyl]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:
100566-83-4
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Formula:
C24H39N5O9
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Chemical Name:
(2S)-2-[[(2S)-2-amino-7-(heptylamino)-7-oxoheptanoyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
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Synonyms:
N-epsilon-(octanoyl)lysyl-uracil polyoxin C;Oct-Lys-UPOC;N-epsilon-(Octanoyl)lysyl-uracil polyoxin C;100566-83-4;Oct-lys-upoc;DTXSID70143392;beta-D-Allofuranuronic acid, 5-((2-amino-1-oxo-5-((1-oxooctyl)amino)hexyl)amino)-1,5-dideoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-, (S)-
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CAS No:
(2S)-2-[[(2S)-2-amino-7-(heptylamino)-7-oxoheptanoyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid Basic Attributes
541.6 g/mol
541.27477784 g/mol
DTXSID70143392
Computed Properties
Molecular Weight:541.6
XLogP3:-2.6
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:16
Exact Mass:541.27477784
Monoisotopic Mass:541.27477784
Topological Polar Surface Area:221
Heavy Atom Count:38
Complexity:883
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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