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N-epsilon-(Octanoyl)Lysyl-Uracil Polyoxin C [100566-83-4]

 
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Identification
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CAS # 100566-83-4, N-epsilon-(Octanoyl)Lysyl-Uracil Polyoxin C
Name
N-epsilon-(Octanoyl)Lysyl-Uracil Polyoxin C
Synonyms
(2S)-2-[[(2S)-2-Amino-7-(Heptylamino)-7-Oxo-Heptanoyl]Amino]-2-[(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Acetic Acid; (2S)-2-[[(2S)-2-Amino-7-(Heptylamino)-1,7-Dioxoheptyl]Amino]-2-[(2R,3S,4R,5R)-5-(2,4-Dioxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Acetic Acid; (2S)-2-[[(2S)-2-Amino-7-(Heptylamino)-7-Keto-Heptanoyl]Amino]-2-[(2R,3S,4R,5R)-5-(2,4-Diketopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Acetic Acid
Molecular Formula
C24H39N5O9
Molecular Weight 541.60
CAS Registry Number
100566-83-4
SMILES
[C@@H]2(O[C@@H](N1C(=O)NC(=O)C=C1)[C@H](O)[C@@H]2O)[C@H](NC(=O)[C@@H](N)CCCCC(=O)NCCCCCCC)C(=O)O
InChI
1S/C24H39N5O9/c1-2-3-4-5-8-12-26-15(30)10-7-6-9-14(25)21(34)28-17(23(35)36)20-18(32)19(33)22(38-20)29-13-11-16(31)27-24(29)37/h11,13-14,17-20,22,32-33H,2-10,12,25H2,1H3,(H,26,30)(H,28,34)(H,35,36)(H,27,31,37)/t14-,17-,18-,19+,20+,22+/m0/s1
InChIKey KQXVKGBKQDWQIX-WIPOLACYSA-N
down Properties
Desity 1.339g/cm3 (Cal.)  ref.
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