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128201-89-8 | Butanoic acid, 4-[[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraen-1-yl]amino]-
CAS No: 128201-89-8 Catalog No: AG000XVA MDL No:MFCD05863981
Product Description
Catalog Number:
AG000XVA
Chemical Name:
Butanoic acid, 4-[[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraen-1-yl]amino]-
CAS Number:
128201-89-8
Molecular Formula:
C24H39NO3
Molecular Weight:
389.5714
MDL Number:
MFCD05863981
IUPAC Name:
4-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]butanoic acid
InChI:
InChI=1S/C24H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)25-22-19-21-24(27)28/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-22H2,1H3,(H,25,26)(H,27,28)/b7-6-,10-9-,13-12-,16-15-
InChI Key:
JKUDIEXTAYKJNX-DOFZRALJSA-N
SMILES:
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCC(=O)O
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
4
Exact Mass:
389.293g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
389.58g/mol
Monoisotopic Mass:
389.293g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
Literature
| Title | Journal |
|---|---|
| Acylamido analogs of endocannabinoids selectively inhibit cancer cell proliferation. | Bioorganic & medicinal chemistry 20081115 |
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