| CAS Number | 138247-43-5 |
| Catalog Number | AG0018DP(AGN-PC-0PMEU6) |
| Chemical Name | N2-(S)-1-Carboxy-3-phenylpropyl-L-lysine |
| IUPAC Name | (2S)-6-amino-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]hexanoic acid |
| InChI | InChI=1S/C16H24N2O4/c17-11-5-4-8-13(15(19)20)18-14(16(21)22)10-9-12-6-2-1-3-7-12/h1-3,6-7,13-14,18H,4-5,8-11,17H2,(H,19,20)(H,21,22)/t13-,14-/m0/s1 |
| InChI Key | CJPMLWRZFHGSOZ-KBPBESRZSA-N |
| MDL Number | MFCD18252468 |
| Molecular Formula | C16H24N2O4 |
| Molecular Weight | 308.3728 |
| SMILES | NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)O |
| Synonyms | 138247-43-5,
N2-(S)-1-Carboxy-3-phenylpropyl-L-lysine,
SCHEMBL661267,
(S)-6-Amino-2-(((S)-1-carboxy-3-phenylpropyl)amino)hexanoic acid,
Lisinopril CPP Lysine Impurity,
ZINC22054096,
Benzenebutanoic acid, alpha-[[(1S)-5-amino-1-carboxypentyl]amino]-, (alphaS)-,
CPP-Lysine,
CS-O-31093,
N2- -1-Carboxy-3-phenylpropyl-L-lysine,
305332-61-0,
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| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.173607g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.37g/mol |
| Monoisotopic Mass | 308.173607g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 113Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -3.1 |
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Certificate of Analysis
Lot Number