| CAS Number | 72635-81-5 |
| Catalog Number | AG00ICAJ(AGN-PC-0WR4EK) |
| Chemical Name | Z-Val-Ser-OH |
| IUPAC Name | (2S)-3-hydroxy-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid |
| InChI | InChI=1S/C16H22N2O6/c1-10(2)13(14(20)17-12(8-19)15(21)22)18-16(23)24-9-11-6-4-3-5-7-11/h3-7,10,12-13,19H,8-9H2,1-2H3,(H,17,20)(H,18,23)(H,21,22)/t12-,13-/m0/s1 |
| InChI Key | VNPGEDJLONFGEL-STQMWFEESA-N |
| MDL Number | MFCD00136594 |
| Molecular Formula | C16H22N2O6 |
| Molecular Weight | 338.3557 |
| SMILES | OC[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1 |
| Synonyms | Z-VAL-SER-OH,
72635-81-5,
Cbz-Val-Ser-OH,
SCHEMBL10073939,
VNPGEDJLONFGEL-STQMWFEESA-N,
ZINC2508271,
KM5655,
MFCD00136594,
AKOS030525118,
J3.493.731A,
(S)-2-(((S)-2-(Benzyloxycarbonylamino)-3-methylbutanoyl)amino)-3-hydroxypropionic acid,
|
| Complexity | 434 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 338.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 338.36g/mol |
| Monoisotopic Mass | 338.148g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 125A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number