| CAS Number | 15545-10-5 |
| Catalog Number | AG00AB93(AGN-PC-0O4FSO) |
| Chemical Name | Z-His-OMe |
| IUPAC Name | methyl (2S)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate |
| InChI | InChI=1S/C15H17N3O4/c1-21-14(19)13(7-12-8-16-10-17-12)18-15(20)22-9-11-5-3-2-4-6-11/h2-6,8,10,13H,7,9H2,1H3,(H,16,17)(H,18,20)/t13-/m0/s1 |
| InChI Key | KLEOALLEVMGHEC-ZDUSSCGKSA-N |
| MDL Number | MFCD00153333 |
| Molecular Formula | C15H17N3O4 |
| Molecular Weight | 303.3132 |
| SMILES | COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1 |
| Synonyms | Z-HIS-OME,
15545-10-5,
Na-Z-L-histidine methyl ester,
ZINC2526269,
7924AH,
MFCD00153333,
AKOS025289347,
K-4909,
L-Histidine,N-[(phenylmethoxy)carbonyl]-, methyl ester,
(S)-methyl 2-(benzyloxycarbonylamino)-3-(1H-imidazol-4-yl)propanoate,
C15H17N3O4,
CID11278081,
N-ALPHA-CBZ-L-HISTIDINE METHYL ESTER,
Methyl (2S)-3-(3H-imidazol-4-yl)-2-phenylmethoxycarbonylamino-propanoate,
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| Complexity | 372 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.318g/mol |
| Monoisotopic Mass | 303.122g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 93.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number