| CAS Number | 745733-78-2 |
| Catalog Number | AG01E573(AGN-PC-0OHHBA) |
| Chemical Name | N-Oleoyl-L-alanine |
| IUPAC Name | (2S)-2-[[(Z)-octadec-9-enoyl]amino]propanoic acid |
| InChI | InChI=1S/C21H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22-19(2)21(24)25/h10-11,19H,3-9,12-18H2,1-2H3,(H,22,23)(H,24,25)/b11-10-/t19-/m0/s1 |
| InChI Key | CHQZBIVWDKADIA-GDWUOILNSA-N |
| MDL Number | MFCD20278301 |
| Molecular Formula | C21H39NO3 |
| Molecular Weight | 353.5393 |
| SMILES | C[C@@H](C(O)=O)NC(CCCCCCC/C=CCCCCCCCC)=O |
| Synonyms | N-oleoyl alanine,
N-oleoyl-L-alanine,
N-(9Z-octadecenoyl)-alanine,
oleoyl-Alanine,
oleoyl L-alanine,
CHEMBL226397,
SCHEMBL1854805,
CHQZBIVWDKADIA-GDWUOILNSA-N,
LMFA08020124,
745733-78-2,
|
| Complexity | 366 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 353.293g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 353.547g/mol |
| Monoisotopic Mass | 353.293g/mol |
| Rotatable Bond Count | 17 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7 |
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Certificate of Analysis
Lot Number