| CAS Number | 54430-46-5 |
| Catalog Number | AG00DG61(AGN-PC-0SH5IS) |
| Chemical Name | Bz-Nle-OH |
| IUPAC Name | (2S)-2-benzamidohexanoic acid |
| InChI | InChI=1S/C13H17NO3/c1-2-3-9-11(13(16)17)14-12(15)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3,(H,14,15)(H,16,17)/t11-/m0/s1 |
| InChI Key | NIOMUJJKCGJROX-NSHDSACASA-N |
| MDL Number | MFCD00190768 |
| Molecular Formula | C13H17NO3 |
| Molecular Weight | 235.2790 |
| SMILES | CCCC[C@@H](C(=O)O)NC(=O)c1ccccc1 |
| Synonyms | BZ-NLE-OH,
54430-46-5,
BENZOYL-L-NORLEUCINE,
N-(phenylcarbonyl)-L-norleucine,
N-Benzoyl-Norleucin,
AC1Q2UOC,
(S)-2-benzamidohexanoic acid,
SCHEMBL186935,
CTK6D4146,
ZINC2556527,
6498AH,
MFCD00190768,
AKOS025289388,
FT-0698555,
K-9816,
L-Norleucine, N-benzoyl-,
C13H17NO3,
ACN-033895,
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| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.283g/mol |
| Monoisotopic Mass | 235.121g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number