| CAS Number | 198476-84-5 |
| Catalog Number | AG00ASLS(AGN-PC-0WBO3C) |
| Chemical Name | Boc-l-lys(2-cl-z)-ol |
| IUPAC Name | tert-butyl N-[(2S)-6-[(2-chlorophenyl)methoxycarbonylamino]-1-hydroxyhexan-2-yl]carbamate |
| InChI | InChI=1S/C19H29ClN2O5/c1-19(2,3)27-18(25)22-15(12-23)9-6-7-11-21-17(24)26-13-14-8-4-5-10-16(14)20/h4-5,8,10,15,23H,6-7,9,11-13H2,1-3H3,(H,21,24)(H,22,25)/t15-/m0/s1 |
| InChI Key | ZZPSJIPXZNNWPD-HNNXBMFYSA-N |
| MDL Number | MFCD00235936 |
| Molecular Formula | C19H29ClN2O5 |
| Molecular Weight | 400.8970 |
| SMILES | OC[C@@H](NC(=O)OC(C)(C)C)CCCCNC(=O)OCc1ccccc1Cl |
| Synonyms | 198476-84-5,
BOC-L-LYS(2-CL-Z)-OL,
boc-Lysinol(2-cl-z),
Boc-L-Lysinol(2-Cl-Z),
C19H29ClN2O5,
SCHEMBL10054673,
6389AH,
MFCD00235936,
ZINC63772437,
AKOS025289458,
K-5808,
N-alpha-t-Butyloxycarbonyl-N-epsilon-(2-chloro-benzyloxycarbonyl)-L-lysinol,
Boc-Lys(2-Cl-Z)-ol,
|
| Complexity | 456 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 400.176g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 400.9g/mol |
| Monoisotopic Mass | 400.176g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 96.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number