| CAS Number | 75396-30-4 |
| Catalog Number | AG00GG3L(AGN-PC-0WCY1Q) |
| Chemical Name | LYSINE(BUTYRYL)-OH |
| IUPAC Name | (2S)-2-amino-6-(butanoylamino)hexanoic acid |
| InChI | InChI=1S/C10H20N2O3/c1-2-5-9(13)12-7-4-3-6-8(11)10(14)15/h8H,2-7,11H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1 |
| InChI Key | VRWLRMTUPOYQFV-QMMMGPOBSA-N |
| MDL Number | MFCD29076248 |
| Molecular Formula | C10H20N2O3 |
| Molecular Weight | 216.2774 |
| SMILES | O=C(O)[C@@H](N)CCCCNC(CCC)=O |
| Synonyms | H-Lys(butyryl)-OH,
N~6~-butanoyl-L-lysine,
N6-Butyryl-L-lysine,
75396-30-4,
SCHEMBL1422751,
CS-16572,
CS-0100615,
Q27458543,
Lysine(butyryl)-OH,
ACN-040897,
(S)-2-Amino-6-butyramidohexanoic acid,
(2S)-2-amino-6-(butanoylamino)hexanoic acid,
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| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.147393g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.28g/mol |
| Monoisotopic Mass | 216.147393g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 92.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number