| CAS Number | 419573-91-4 |
| Catalog Number | AG00I85U(AGN-PC-0WOID7) |
| Chemical Name | Fmoc-d-tyr(2,6-dicl-bzl)-oh |
| IUPAC Name | (2R)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid |
| InChI | InChI=1S/C31H25Cl2NO5/c32-27-10-5-11-28(33)26(27)18-38-20-14-12-19(13-15-20)16-29(30(35)36)34-31(37)39-17-25-23-8-3-1-6-21(23)22-7-2-4-9-24(22)25/h1-15,25,29H,16-18H2,(H,34,37)(H,35,36)/t29-/m1/s1 |
| InChI Key | ZOUABXSNYLWHTP-GDLZYMKVSA-N |
| MDL Number | MFCD00274143 |
| Molecular Formula | C31H25Cl2NO5 |
| Molecular Weight | 562.4399 |
| SMILES | C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N[C@@H](C(=O)O)CC1=CC=C(C=C1)OCC1=C(C=CC=C1Cl)Cl |
| Synonyms | Fmoc-D-Tyr(2,6-diCl-Bzl)-OH,
419573-91-4,
ZINC2564767,
MFCD00274143,
AKOS015911641,
I14-37162,
112402-12-7,
|
| Complexity | 789 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 561.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 39 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 562.443g/mol |
| Monoisotopic Mass | 561.111g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number