| CAS Number | 7412-61-5 |
| Catalog Number | AG00FCSI(AGN-PC-0OHDYL) |
| Chemical Name | Z-Ser-Thr-OMe |
| IUPAC Name | methyl (2S,3R)-3-hydroxy-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoate |
| InChI | InChI=1S/C16H22N2O7/c1-10(20)13(15(22)24-2)18-14(21)12(8-19)17-16(23)25-9-11-6-4-3-5-7-11/h3-7,10,12-13,19-20H,8-9H2,1-2H3,(H,17,23)(H,18,21)/t10-,12+,13+/m1/s1 |
| InChI Key | WMMKCRHIRFPGAE-WXHSDQCUSA-N |
| MDL Number | MFCD00191152 |
| Molecular Formula | C16H22N2O7 |
| Molecular Weight | 354.3551 |
| SMILES | OC[C@@H](C(=O)N[C@H](C(=O)OC)[C@H](O)C)NC(=O)OCc1ccccc1 |
| Synonyms | Z-SER-THR-OME,
7412-61-5,
C16H22N2O7,
ZINC2556708,
7967AH,
KM1591,
MFCD00191152,
412Z615,
L-Threonine,N-[(phenylmethoxy)carbonyl]-L-seryl-, methyl ester (9CI),
(2S,3R)-methyl 2-((S)-2-(benzyloxycarbonylamino)-3-hydroxypropanamido)-3-hydroxybutanoate,
|
| Complexity | 452 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 354.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 354.359g/mol |
| Monoisotopic Mass | 354.143g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 134A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number