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Aseripide

CAT: 0931-T30158-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T30158-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
153242-02-5
Target
Others
Related Pathways
Others
Bioactivity
Aseripide is a biochemical.
Smiles
C(CNC(NC1=CC([C@@H](C(O)=O)C)=CC=C1)=O)(=O)N2[C@H](SC[C@H]2C(OC(C)(C)C)=O)C3=C(F)C=CC=C3
Molecular Formula
C26H30FN3O6S
Molecular Weight
531.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Aseripide

Aseripide is a small molecule drug. Aseripide has a monoisotopic molecular weight of 531.18 Da.

CAS Number153242-02-5
PubChem CID10437056
IUPAC Name(2S)-2-[3-[[2-[(2R,4R)-2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamoylamino]phenyl]propanoic acid
Molecular FormulaC26H30FN3O6S
Molecular Weight531.6
XLogP3.6
Topological Polar Surface Area150
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity853
SMILES
C[C@@H](C1=CC(=CC=C1)NC(=O)NCC(=O)N2[C@@H](CS[C@@H]2C3=CC=CC=C3F)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C26H30FN3O6S/c1-15(23(32)33)16-8-7-9-17(12-16)29-25(35)28-13-21(31)30-20(24(34)36-26(2,3)4)14-37-22(30)18-10-5-6-11-19(18)27/h5-12,15,20,22H,13-14H2,1-4H3,(H,32,33)(H2,28,29,35)/t15-,20-,22+/m0/s1
InChIKey
IPIGNHDAVWQEDN-GJULWVSJSA-N
Chemical Structure
2D Structure
2D structure of Aseripide
CAS: 153242-02-5
CID: 10437056
Formula: C26H30FN3O6S
MW: 531.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight531.6
XLogP33.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass531.18393502
Monoisotopic Mass531.18393502
Topological Polar Surface Area150 Ų
Heavy Atom Count37
Formal Charge0
Complexity853
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

Alternative Products

CatalogName
GTR19195902-01Aseripide

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