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Valine-valine-ganciclovir

CAT: 0931-T35029-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T35029-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
897937-73-4
Target
Others
Related Pathways
Others
Bioactivity
Valine-valine-ganciclovir is a peptide.
Smiles
C(OC(COC([C@@H](NC([C@H](C(C)C)N)=O)C(C)C)=O)CO)N1C2=C(N=C1)C(=O)N=C(N)N2
Molecular Formula
C19H31N7O6
Molecular Weight
453.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Valine-valine-ganciclovir
CAS Number897937-73-4
PubChem CID135564640
IUPAC Name[(2R)-2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoate
Molecular FormulaC19H31N7O6
Molecular Weight453.5
XLogP-0.8
Topological Polar Surface Area196
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Heavy Atom Count32
Formal Charge0
Complexity716
SMILES
CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC[C@@H](CO)OCN1C=NC2=C1N=C(NC2=O)N)N
InChI
InChI=1S/C19H31N7O6/c1-9(2)12(20)16(28)23-13(10(3)4)18(30)31-6-11(5-27)32-8-26-7-22-14-15(26)24-19(21)25-17(14)29/h7,9-13,27H,5-6,8,20H2,1-4H3,(H,23,28)(H3,21,24,25,29)/t11-,12+,13+/m1/s1
InChIKey
JZCILZBQRWUKME-AGIUHOORSA-N
Chemical Structure
2D Structure
2D structure of Valine-valine-ganciclovir
CAS: 897937-73-4
CID: 135564640
Formula: C19H31N7O6
MW: 453.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.5
XLogP3-0.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Exact Mass453.23358173
Monoisotopic Mass453.23358173
Topological Polar Surface Area196 Ų
Heavy Atom Count32
Formal Charge0
Complexity716
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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