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1101136-50-8 | 4-[(1-oxo-7-phenylheptyl)amino]-(4R)-octanoic acid
CAS No: 1101136-50-8 Catalog No: AG007DWB MDL No:MFCD18382098
Product Description
Catalog Number:
AG007DWB
Chemical Name:
4-[(1-oxo-7-phenylheptyl)amino]-(4R)-octanoic acid
CAS Number:
1101136-50-8
Molecular Formula:
C21H33NO3
Molecular Weight:
347.4916
MDL Number:
MFCD18382098
IUPAC Name:
(4R)-4-(7-phenylheptanoylamino)octanoic acid
InChI:
InChI=1S/C21H33NO3/c1-2-3-14-19(16-17-21(24)25)22-20(23)15-10-5-4-7-11-18-12-8-6-9-13-18/h6,8-9,12-13,19H,2-5,7,10-11,14-17H2,1H3,(H,22,23)(H,24,25)/t19-/m1/s1
InChI Key:
ANTPELWBOPVWPH-LJQANCHMSA-N
SMILES:
CCCC[C@@H](NC(=O)CCCCCCc1ccccc1)CCC(=O)O
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
347.246g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
347.499g/mol
Monoisotopic Mass:
347.246g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Literature
| Title | Journal |
|---|---|
| Pancreatic cancer cell lines can induce prostaglandin e2 production from human blood mononuclear cells. | Journal of oncology 20110101 |
| Structure-activity relationships of natural and non-natural amino acid-based amide and 2-oxoamide inhibitors of human phospholipase A(2) enzymes. | Bioorganic & medicinal chemistry 20081215 |
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