| CAS Number | 32303-82-5 |
| Catalog Number | AG00C7SV(AGN-PC-0O8WMP) |
| Chemical Name | Z-Ala-His-OMe |
| IUPAC Name | methyl (2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate |
| InChI | InChI=1S/C18H22N4O5/c1-12(21-18(25)27-10-13-6-4-3-5-7-13)16(23)22-15(17(24)26-2)8-14-9-19-11-20-14/h3-7,9,11-12,15H,8,10H2,1-2H3,(H,19,20)(H,21,25)(H,22,23)/t12-,15-/m0/s1 |
| InChI Key | FPMLCYUEXWDCDX-WFASDCNBSA-N |
| MDL Number | MFCD00238403 |
| Molecular Formula | C18H22N4O5 |
| Molecular Weight | 374.3911 |
| SMILES | COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C)Cc1[nH]cnc1 |
| Synonyms | Z-ALA-HIS-OME,
32303-82-5,
SCHEMBL10583222,
7851AH,
MFCD00238403,
ZINC34244975,
AKOS030632521,
K-7528,
(S)-methyl 2-((S)-2-(benzyloxycarbonylamino)propanamido)-3-(1H-imidazol-4-yl)propanoate,
C18H22N4O5,
ZINC02561174,
CID7020246,
|
| Complexity | 510 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 374.159g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 374.397g/mol |
| Monoisotopic Mass | 374.159g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 122A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number