| CAS Number | 56787-36-1 |
| Catalog Number | AG00EC7L(AGN-PC-0SMF1F) |
| Chemical Name | Chloroac-Nle-OH |
| IUPAC Name | (2S)-2-[(2-chloroacetyl)amino]hexanoic acid |
| InChI | InChI=1S/C8H14ClNO3/c1-2-3-4-6(8(12)13)10-7(11)5-9/h6H,2-5H2,1H3,(H,10,11)(H,12,13)/t6-/m0/s1 |
| InChI Key | NTOGPWIZAGBRID-LURJTMIESA-N |
| MDL Number | MFCD00190854 |
| Molecular Formula | C8H14ClNO3 |
| Molecular Weight | 207.6547 |
| SMILES | CCCC[C@@H](C(=O)O)NC(=O)CCl |
| Synonyms | CHLOROAC-NLE-OH,
56787-36-1,
CHLOROACETYL-L-NORLEUCINE,
AC1MDSML,
Chloracetyl L-norleucin,
SCHEMBL11736294,
CTK6D4147,
(?)-N-Chloroacetyl-L-norleucine,
ZINC1737820,
6532AH,
KM0031,
MFCD00190854,
L-Norleucine,N-(chloroacetyl)-(9ci),
(2S)-2-[(2-chloroacetyl)amino]hexanoic acid,
C8H14ClNO3,
NSC203446,
CID2795113,
2-[(2-chloroacetyl)amino]hexanoic acid,
(S)-2-(2-Chloroacetamido)hexanoic acid,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.654g/mol |
| Monoisotopic Mass | 207.066g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number