| CAS Number | 76264-05-6 |
| Catalog Number | AG00ICPY(AGN-PC-0OHSLY) |
| Chemical Name | Z-Ala-Met-OH |
| IUPAC Name | (2S)-4-methylsulfanyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid |
| InChI | InChI=1S/C16H22N2O5S/c1-11(14(19)18-13(15(20)21)8-9-24-2)17-16(22)23-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,17,22)(H,18,19)(H,20,21)/t11-,13-/m0/s1 |
| InChI Key | YYUCTNWOJJIRAB-AAEUAGOBSA-N |
| MDL Number | MFCD00056133 |
| Molecular Formula | C16H22N2O5S |
| Molecular Weight | 354.4213 |
| SMILES | CSCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C |
| Synonyms | Z-ALA-MET-OH,
76264-05-6,
N-cbz-l-alanyl-l-methionine,
SCHEMBL9324447,
ZINC1575969,
7853AH,
KM1750,
MFCD00056133,
AKOS030632524,
(2S)-2-[((2S)-2-{[(benzyloxy)carbonyl]amino}propanoyl)amino]-4-(methylthio)butanoic acid,
C16H22N2O5S,
NSC333442,
CID6992427,
|
| Complexity | 427 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 354.125g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 354.421g/mol |
| Monoisotopic Mass | 354.125g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 130A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number