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Termitomycamide B

CAT: 0013-GTR19191497-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191497-02Size:10 mg
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Description
Termitomycamide B
CAS Number
1254277-89-8
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
C (CNC (CCCCCCC/C=C\C/C=C\CCCCC) =O) (=O) C1=CC=2C (N1) =CC=CC2
Molecular Formula
C28H40N2O2
Molecular Weight
436.63
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Termitomycamide B
CAS Number1254277-89-8
PubChem CID97183939
IUPAC Name(9Z,12Z)-N-[2-(1H-indol-2-yl)-2-oxoethyl]octadeca-9,12-dienamide
Molecular FormulaC28H40N2O2
Molecular Weight436.6
XLogP8.2
Topological Polar Surface Area62
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count17
Heavy Atom Count32
Formal Charge0
Complexity584
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCC(=O)C1=CC2=CC=CC=C2N1
InChI
InChI=1S/C28H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28(32)29-23-27(31)26-22-24-19-17-18-20-25(24)30-26/h6-7,9-10,17-20,22,30H,2-5,8,11-16,21,23H2,1H3,(H,29,32)/b7-6-,10-9-
InChIKey
KDZGHQVBEWMXHZ-HZJYTTRNSA-N
Chemical Structure
2D Structure
2D structure of Termitomycamide B
CAS: 1254277-89-8
CID: 97183939
Formula: C28H40N2O2
MW: 436.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.6
XLogP38.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count17
Exact Mass436.308978523
Monoisotopic Mass436.308978523
Topological Polar Surface Area62 Ų
Heavy Atom Count32
Formal Charge0
Complexity584
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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