| CAS Number | 179033-68-2 |
| Catalog Number | AG00AOM3(AGN-PC-0WBO6E) |
| Chemical Name | BOC-L-MEPHE(4-CL)-OH |
| IUPAC Name | (2S)-3-(4-chlorophenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid |
| InChI | InChI=1S/C15H20ClNO4/c1-15(2,3)21-14(20)17(4)12(13(18)19)9-10-5-7-11(16)8-6-10/h5-8,12H,9H2,1-4H3,(H,18,19)/t12-/m0/s1 |
| InChI Key | GVKQCRRZMAVASQ-LBPRGKRZSA-N |
| MDL Number | MFCD00672517 |
| Molecular Formula | C15H20ClNO4 |
| Molecular Weight | 313.7766 |
| SMILES | CC(C)(C)OC(=O)N(C)[C@@H](CC1=CC=C(C=C1)Cl)C(=O)O |
| Synonyms | Boc-Nalpha-methyl-4-chloro-L-phenylalanine,
179033-68-2,
BOC-N-METHYL-4-CHLORO-L-PHENYLALANINE,
N-Boc-N-methyl-4-chloro-L-phenylalanine,
SCHEMBL5322873,
BOC-L-MEPHE(4-CL)-OH,
CTK6H8889,
(S)-2-((tert-Butoxycarbonyl)(methyl)amino)-3-(4-chlorophenyl)propanoic acid,
ZINC2567670,
5986AD,
MFCD00672517,
AKOS015836699,
AKOS015909661,
K-5485,
J-011420,
I14-32672,
(2S)-2-[(tert-butoxycarbonyl)(methyl)amino]-3-(4-chlorophenyl)propanoic acid,
C15H20ClNO4,
GVKQCRRZMAVASQ-LBPRGKRZSA-N,
|
| Complexity | 372 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.778g/mol |
| Monoisotopic Mass | 313.108g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number