| CAS Number | 21929-66-8 |
| Catalog Number | AG007OTA(AGN-PC-0O7X76) |
| Chemical Name | Z-His(bzl)-oh |
| IUPAC Name | (2S)-3-(1-benzylimidazol-4-yl)-2-(phenylmethoxycarbonylamino)propanoic acid |
| InChI | InChI=1S/C21H21N3O4/c25-20(26)19(23-21(27)28-14-17-9-5-2-6-10-17)11-18-13-24(15-22-18)12-16-7-3-1-4-8-16/h1-10,13,15,19H,11-12,14H2,(H,23,27)(H,25,26)/t19-/m0/s1 |
| InChI Key | RSDRIMXAOFFQMC-IBGZPJMESA-N |
| MDL Number | MFCD00037892 |
| Molecular Formula | C21H21N3O4 |
| Molecular Weight | 379.4091 |
| SMILES | OC([C@@H](NC(OCC1=CC=CC=C1)=O)CC1N=CN(CC2=CC=CC=C2)C=1)=O |
| Synonyms | Z-His(Bzl)-OH,
21929-66-8,
N-Cbz-His(Bzl)-OH,
AC1OI8JG,
CTK8G3830,
MFCD00037892,
ZINC31720031,
AKOS024386420,
ACM21929668,
SC-20934,
FT-0772549,
ST51037706,
K-6218,
J-014362,
(2S)-2-[(phenylmethoxy)carbonylamino]-3-[1-benzylimidazol-4-yl]propanoic acid,
(2S)-3-(1-benzylimidazol-4-yl)-2-(phenylmethoxycarbonylamino)propanoic acid,
Z-HIS -OH,
C21H21N3O4,
NSC169121,
CID7223833,
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| Complexity | 504 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 379.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 379.416g/mol |
| Monoisotopic Mass | 379.153g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 93.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number