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156410-09-2 | β-D-Glucopyranuronamide, 1-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,4-dideoxy-4-[(N-methylglycyl-L-seryl)amino]-
CAS No: 156410-09-2 Catalog No: AG001OPK MDL No:
Product Description
Catalog Number:
AG001OPK
Chemical Name:
β-D-Glucopyranuronamide, 1-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,4-dideoxy-4-[(N-methylglycyl-L-seryl)amino]-
CAS Number:
156410-09-2
Molecular Formula:
C16H25N7O8
Molecular Weight:
443.4118
IUPAC Name:
(2S,3S,4S,5R,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4,5-dihydroxy-3-[[(2S)-3-hydroxy-2-[[2-(methylamino)acetyl]amino]propanoyl]amino]oxane-2-carboxamide
InChI:
InChI=1S/C16H25N7O8/c1-19-4-8(25)20-6(5-24)14(29)22-9-10(26)11(27)15(31-12(9)13(18)28)23-3-2-7(17)21-16(23)30/h2-3,6,9-12,15,19,24,26-27H,4-5H2,1H3,(H2,18,28)(H,20,25)(H,22,29)(H2,17,21,30)/t6-,9-,10-,11+,12-,15+/m0/s1
InChI Key:
AMNAZJFEONUVTD-KEWDHRJRSA-N
SMILES:
CNCC(=O)N[C@H](C(=O)N[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)n1ccc(nc1=O)N)C(=O)N)CO
Properties
Complexity:
788
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
443.176g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
443.417g/mol
Monoisotopic Mass:
443.176g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
242A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.4
Literature
| Title | Journal |
|---|---|
| Antiviral phenolic compounds from Arundina gramnifolia. | Journal of natural products 20130222 |
| Antiviral activity and mechanism of action of novel thiourea containing chiral phosphonate on tobacco mosaic virus. | International journal of molecular sciences 20110101 |
| Synthesis and antiviral bioactivities of 2-cyano-3-substituted-amino(phenyl) methylphosphonylacrylates (acrylamides) containing alkoxyethyl moieties. | Journal of agricultural and food chemistry 20100310 |
| Synthesis and antiviral activities of phenanthroindolizidine alkaloids and their derivatives. | Journal of agricultural and food chemistry 20100310 |
| Tobacco mosaic virus (TMV) inhibitors from Picrasma quassioides Benn. | Journal of agricultural and food chemistry 20090812 |
| Synthesis and antiviral activities of chiral thiourea derivatives containing an alpha-aminophosphonate moiety. | Journal of agricultural and food chemistry 20090225 |
| Synthesis and antiviral activity of novel pyrazole derivatives containing oxime esters group. | Bioorganic & medicinal chemistry 20081115 |
| Synthesis and antiviral activities of pyrazole derivatives containing an oxime moiety. | Journal of agricultural and food chemistry 20081112 |
| Synthesis and antiviral activities of cyanoacrylate derivatives containing an alpha-aminophosphonate moiety. | Journal of agricultural and food chemistry 20080709 |
| Synthesis and antiviral activities of novel chiral cyanoacrylate derivatives with (E) configuration. | Bioorganic & medicinal chemistry 20080315 |
| Synthesis and antiviral activities of amide derivatives containing the alpha-aminophosphonate moiety. | Journal of agricultural and food chemistry 20080213 |
| Synthesis and antiviral activity of novel chiral cyanoacrylate derivatives. | Journal of agricultural and food chemistry 20051005 |
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