| CAS Number | 76401-90-6 |
| Catalog Number | AG005CBH(AGN-PC-0U9PY9) |
| Chemical Name | Z-L-Threonine N-hydroxysuccinimide ester |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) (2S,3R)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoate |
| InChI | InChI=1S/C16H18N2O7/c1-10(19)14(15(22)25-18-12(20)7-8-13(18)21)17-16(23)24-9-11-5-3-2-4-6-11/h2-6,10,14,19H,7-9H2,1H3,(H,17,23)/t10-,14+/m1/s1 |
| InChI Key | VTZRUMKJVGFNAZ-YGRLFVJLSA-N |
| MDL Number | MFCD00153344 |
| Molecular Formula | C16H18N2O7 |
| Molecular Weight | 350.3233 |
| SMILES | C[C@H]([C@@H](C(=O)ON1C(=O)CCC1=O)NC(=O)OCc1ccccc1)O |
| Synonyms | 76401-90-6,
Z-THR-OSU,
Z-L-THREONINE N-HYDROXYSUCCINIMIDE ESTER,
Z-L-Thr-OSu,
CTK8G3872,
DTXSID40679835,
ZINC2526275,
7937AH,
KM1763,
MFCD00153344,
AKOS027384344,
FT-0641592,
C-20616,
N-alpha-Benzyloxycarbonyl-L-threonine succinimidyl ester,
2,5-Dioxopyrrolidin-1-yl N-[(benzyloxy)carbonyl]-L-threoninate,
(2S,3R)-2,5-dioxopyrrolidin-1-yl 2-(benzyloxycarbonylamino)-3-hydroxybutanoate,
C16H18N2O7,
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| Complexity | 515 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 350.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 350.327g/mol |
| Monoisotopic Mass | 350.111g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 122A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number