| CAS Number | 102202-92-6 |
| Catalog Number | AG008T77(AGN-PC-0NVD6Y) |
| Chemical Name | Z-Tyr(3,5-i2)-oet |
| IUPAC Name | ethyl (2S)-3-(4-hydroxy-3,5-diiodophenyl)-2-(phenylmethoxycarbonylamino)propanoate |
| InChI | InChI=1S/C19H19I2NO5/c1-2-26-18(24)16(10-13-8-14(20)17(23)15(21)9-13)22-19(25)27-11-12-6-4-3-5-7-12/h3-9,16,23H,2,10-11H2,1H3,(H,22,25)/t16-/m0/s1 |
| InChI Key | VTFCOFWKAQDPBP-INIZCTEOSA-N |
| MDL Number | MFCD00191084 |
| Molecular Formula | C19H19I2NO5 |
| Molecular Weight | 595.1668 |
| SMILES | CCOC(=O)[C@H](CC1=CC(=C(C(=C1)I)O)I)NC(=O)OCC2=CC=CC=C2 |
| Synonyms | 102202-92-6,
Z-3,5-DIIODO-TYR-OET,
Z-TYR(3,5-I2)-OET,
Z-3,5-Diiodo-l-tyrosine ethyl ester,
C19H19I2NO5,
7848AH,
MFCD00191084,
ZINC100075584,
K-0295,
(S)-ethyl 2-(benzyloxycarbonylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoate,
VTFCOFWKAQDPBP-INIZCTEOSA-N,
|
| Complexity | 475 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 594.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 595.172g/mol |
| Monoisotopic Mass | 594.935g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number