| CAS Number | 60374-41-6 |
| Catalog Number | AG01EPON(AGN-PC-3H471H) |
| Chemical Name | N-[(9Z)-1-oxo-9-octadecen-1-yl]-L-valine |
| IUPAC Name | (2S)-3-methyl-2-[[(Z)-octadec-9-enoyl]amino]butanoic acid |
| InChI | InChI=1S/C23H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(25)24-22(20(2)3)23(26)27/h11-12,20,22H,4-10,13-19H2,1-3H3,(H,24,25)(H,26,27)/b12-11-/t22-/m0/s1 |
| InChI Key | LRQPUGFHAACUMH-GJCOWUBNSA-N |
| Molecular Formula | C23H43NO3 |
| Molecular Weight | 381.5924 |
| SMILES | CCCCCCCC/C=CCCCCCCCC(N[C@@H](C(C)C)C(O)=O)=O |
| Synonyms | SCHEMBL20398929,
N-[(9Z)-1-oxo-9-octadecen-1-yl]-L-valine,
60374-41-6,
|
| Complexity | 404 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 381.324g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 381.601g/mol |
| Monoisotopic Mass | 381.324g/mol |
| Rotatable Bond Count | 18 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 8 |
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Certificate of Analysis
Lot Number