| CAS Number | 136560-76-4 |
| Catalog Number | AG01EPV4(AGN-PC-0PKYG2) |
| Chemical Name | N-[(9Z)-1-Oxo-9-octadecen-1-yl]-L-leucine |
| IUPAC Name | (2S)-4-methyl-2-[[(Z)-octadec-9-enoyl]amino]pentanoic acid |
| InChI | InChI=1S/C24H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)25-22(24(27)28)20-21(2)3/h11-12,21-22H,4-10,13-20H2,1-3H3,(H,25,26)(H,27,28)/b12-11-/t22-/m0/s1 |
| InChI Key | UMOAAMQGRRCHPA-GJCOWUBNSA-N |
| MDL Number | MFCD00153445 |
| Molecular Formula | C24H45NO3 |
| Molecular Weight | 395.6190 |
| SMILES | [C@H](NC(CCCCCCC/C=C\CCCCCCCC)=O)(CC(C)C)C(O)=O |
| Synonyms | N-oleoyl leucine,
N-(9Z-octadecenoyl)-leucine,
N-Oleoyl-L-leucine,
N-(9Z-octadecenoyl)-L-leucine,
oleoylleucine,
N-oleoylleucine,
oleoyl-L-leucine,
N-Oleyl-Leucine,
N-[(9Z)-octadecenoyl]leucine,
SCHEMBL15285296,
CHEBI:136616,
N-[(9Z)-octadecenoyl]-L-leucine,
LMFA08020116,
N(2)-[(9Z)-octadec-9-enoyl]-L-leucine,
N-[(9Z)-1-oxo-9-octadecen-1-yl]-L-leucine,
(2S)-4-methyl-2-{[(9Z)-octadec-9-enoyl]amino}pentanoic acid,
136560-76-4,
|
| Complexity | 418 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 395.34g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 395.628g/mol |
| Monoisotopic Mass | 395.34g/mol |
| Rotatable Bond Count | 19 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 8.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number