| CAS Number | 259143-19-6 |
| Catalog Number | AG00BC6E(AGN-PC-0O8CLS) |
| Chemical Name | N-(α-Linolenoyl) tyrosine |
| IUPAC Name | (2S)-3-(4-hydroxyphenyl)-2-[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]amino]propanoic acid |
| InChI | InChI=1S/C27H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)28-25(27(31)32)22-23-18-20-24(29)21-19-23/h3-4,6-7,9-10,18-21,25,29H,2,5,8,11-17,22H2,1H3,(H,28,30)(H,31,32)/b4-3-,7-6-,10-9-/t25-/m0/s1 |
| InChI Key | DEQLZTQITSWABQ-GMOGWPNXSA-N |
| MDL Number | MFCD08062216 |
| Molecular Formula | C27H39NO4 |
| Molecular Weight | 441.6029 |
| SMILES | CC/C=CC/C=CC/C=CCCCCCCCC(N([C@H](C(O)=O)CC1=CC=C(O)C=C1)[H])=O |
| Synonyms | 259143-19-6,
N-(L-tyrosine)-9Z,12Z,15Z-octadecatrienamide,
N(L-TYROSINE)-9Z,12Z,15Z-OCTADECATRIENAMIDE,
C27H39NO4,
N-(.alpha.-Linolenoyl)tyrosine,
SCHEMBL6536082,
DEQLZTQITSWABQ-GMOGWPNXSA-N,
HMS3648A17,
1890AH,
ZINC27638581,
SR-01000946191,
SR-01000946191-1,
n-(alpha-linolenoyl)tyrosine,
3-(4-hydroxyphenyl)-2-(octadeca-9,12,15-trienoylamino)propan,
|
| Complexity | 589 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 3 |
| Exact Mass | 441.288g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 441.612g/mol |
| Monoisotopic Mass | 441.288g/mol |
| Rotatable Bond Count | 17 |
| Topological Polar Surface Area | 86.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number