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A-315675

CAT: 0931-T26477-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26477-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
335679-69-1
Target
Others, Influenza Virus
Related Pathways
Microbiology/Virology, Others
Bioactivity
A-315675 is a neuramidase inhibitor with anti-infuenza activity.
Smiles
[C@@H]([C@](CCC)(OC)C)(NC(C)=O)[C@]1([C@H](/C=C\C)C[C@H](C(O)=O)N1)[H]
Molecular Formula
C17H30N2O4
Molecular Weight
326.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

A-315675
CAS Number335679-69-1
PubChem CID6451053
IUPAC Name(2R,4S,5R)-5-[(1R,2S)-1-acetamido-2-methoxy-2-methylpentyl]-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid
Molecular FormulaC17H30N2O4
Molecular Weight326.4
XLogP-0.8
Topological Polar Surface Area87.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count23
Formal Charge0
Complexity452
SMILES
CCC[C@@](C)([C@@H]([C@H]1[C@@H](C[C@@H](N1)C(=O)O)/C=C\C)NC(=O)C)OC
InChI
InChI=1S/C17H30N2O4/c1-6-8-12-10-13(16(21)22)19-14(12)15(18-11(3)20)17(4,23-5)9-7-2/h6,8,12-15,19H,7,9-10H2,1-5H3,(H,18,20)(H,21,22)/b8-6-/t12-,13-,14-,15-,17+/m1/s1
InChIKey
UUVKABIGWGMYCE-FLMGFEAJSA-N
Chemical Structure
2D Structure
2D structure of A-315675
CAS: 335679-69-1
CID: 6451053
Formula: C17H30N2O4
MW: 326.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.4
XLogP3-0.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass326.22055744
Monoisotopic Mass326.22055744
Topological Polar Surface Area87.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity452
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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