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EET analog 7

CAT: 0013-GTR19274506-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19274506-01Size:50 mg
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Description
EET analog 7 is an epoxy-eicosatrienoic acid (EET) analog designed to conjugate with folate receptor ligands, targeting kidney cells with high levels of folate receptors. It can be employed in the development of kidney-targeted drug conjugates.
CAS Number
1402547-47-0
Smiles
[C@H] (NC (CCCCCC/C=C\CCCCNC (NCCCCC) =O) =O) (CC (O) =O) C (O) =O
Molecular Formula
C23H41N3O6
Molecular Weight
455.6
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2S)-2-[[(Z)-13-(pentylcarbamoylamino)tridec-8-enoyl]amino]butanedioic acid
CAS Number1402547-47-0
PubChem CID66556445
IUPAC Name(2S)-2-[[(Z)-13-(pentylcarbamoylamino)tridec-8-enoyl]amino]butanedioic acid
Molecular FormulaC23H41N3O6
Molecular Weight455.6
XLogP3.5
Topological Polar Surface Area145
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count20
Heavy Atom Count32
Formal Charge0
Complexity580
SMILES
CCCCCNC(=O)NCCCC/C=C\CCCCCCC(=O)N[C@@H](CC(=O)O)C(=O)O
InChI
InChI=1S/C23H41N3O6/c1-2-3-13-16-24-23(32)25-17-14-11-9-7-5-4-6-8-10-12-15-20(27)26-19(22(30)31)18-21(28)29/h5,7,19H,2-4,6,8-18H2,1H3,(H,26,27)(H,28,29)(H,30,31)(H2,24,25,32)/b7-5-/t19-/m0/s1
InChIKey
RLAXHUGRQALCNK-WPGJWXSHSA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-[[(Z)-13-(pentylcarbamoylamino)tridec-8-enoyl]amino]butanedioic acid
CAS: 1402547-47-0
CID: 66556445
Formula: C23H41N3O6
MW: 455.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight455.6
XLogP33.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count20
Exact Mass455.29953604
Monoisotopic Mass455.29953604
Topological Polar Surface Area145 Ų
Heavy Atom Count32
Formal Charge0
Complexity580
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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