| CAS Number | 1219-46-1 |
| Catalog Number | AG0016D8(AGN-PC-0O0CJ8) |
| Chemical Name | N-Epsilon-benzoyl-L-lysine |
| IUPAC Name | (2S)-2-amino-6-benzamidohexanoic acid |
| InChI | InChI=1S/C13H18N2O3/c14-11(13(17)18)8-4-5-9-15-12(16)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9,14H2,(H,15,16)(H,17,18)/t11-/m0/s1 |
| InChI Key | KODLJWKGAKBGOB-NSHDSACASA-N |
| MDL Number | MFCD00037222 |
| Molecular Formula | C13H18N2O3 |
| Molecular Weight | 250.2936 |
| SMILES | N[C@@H](CCCCNC(C1=CC=CC=C1)=O)C(O)=O |
| Synonyms | 1219-46-1,
(S)-2-Amino-6-benzamidohexanoic acid,
L-Lysine, N6-benzoyl-,
N-epsilon-Benzoyl-L-lysine,
(2S)-2-amino-6-benzamidohexanoic acid,
Nepsilon-Benzoyl-L-lysine,
AC1LT3J2,
Nepsilon -Benzoyl-L-lysine,
SCHEMBL1242961,
CTK0I0755,
KODLJWKGAKBGOB-NSHDSACASA-N,
ZINC1653057,
I14-58555,
NSC334208,
CID1550543,
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| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.298g/mol |
| Monoisotopic Mass | 250.132g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number