| CAS Number | 69541-62-4 |
| Catalog Number | AG00FAZ0(AGN-PC-0TW27K) |
| Chemical Name | Boc-d-tyr(2,6-cl2-bzl)-oh |
| IUPAC Name | (2R)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid |
| InChI | InChI=1S/C21H23Cl2NO5/c1-21(2,3)29-20(27)24-18(19(25)26)11-13-7-9-14(10-8-13)28-12-15-16(22)5-4-6-17(15)23/h4-10,18H,11-12H2,1-3H3,(H,24,27)(H,25,26)/t18-/m1/s1 |
| InChI Key | DODHIGHXRDNRPP-GOSISDBHSA-N |
| MDL Number | MFCD00037107 |
| Molecular Formula | C21H23Cl2NO5 |
| Molecular Weight | 440.3170 |
| SMILES | ClC1=C(C(=CC=C1)Cl)COC1=CC=C(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)C=C1 |
| Synonyms | 69541-62-4,
BOC-D-TYR(2,6-CL2-BZL)-OH,
Boc-D-Tyr(2,6-dichloro-Bzl)-OH,
C21H23Cl2NO5,
BOC-D-TYR(2,6-DI-CL-BZL)-OH,
SCHEMBL4417313,
ZINC1576317,
6353AH,
KM1279,
MFCD00037107,
AKOS027340150,
N-alpha-t-Butyloxycarbonyl-O-(2,6-dichlorobenzyl)-D-tyrosine,
D-Tyrosine,O-[(2,6-dichlorophenyl)methyl]-N-[(1,1-dimethylethoxy)carbonyl]-,
BOC-D-TYR -OH,
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| Complexity | 536 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 439.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 440.317g/mol |
| Monoisotopic Mass | 439.095g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number