| CAS Number | 84030-19-3 |
| Catalog Number | AG003QNF(AGN-PC-0WBO2X) |
| Chemical Name | Fmoc-His(Bzl)-OH |
| EC Number | 281-790-6 |
| IUPAC Name | (2S)-3-(1-benzylimidazol-4-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid |
| InChI | InChI=1S/C28H25N3O4/c32-27(33)26(14-20-16-31(18-29-20)15-19-8-2-1-3-9-19)30-28(34)35-17-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h1-13,16,18,25-26H,14-15,17H2,(H,30,34)(H,32,33)/t26-/m0/s1 |
| InChI Key | AZBCBZPTQNYCPF-SANMLTNESA-N |
| MDL Number | MFCD00038537 |
| Molecular Formula | C28H25N3O4 |
| Molecular Weight | 467.5158 |
| SMILES | O=C(O)[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=CN(CC5=CC=CC=C5)C=N4 |
| Synonyms | Fmoc-His(Bzl)-OH,
84030-19-3,
C28H25N3O4,
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(1-benzyl-1H-imidazol-4-yl)propanoic acid,
SCHEMBL5717688,
N|A-Fmoc-N(im)-benzyl-L-histidine,
6900AH,
MFCD00038537,
ZINC25783275,
Fmoc-His(Bzl)-OH, >=98.0% (HPLC),
FT-0641936,
(S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-(1-benzyl-1H-imidazol-4-yl)propanoic acid,
EINECS 281-790-6,
C28-H25-N3-O4,
N(alpha)-fmoc-N(im)-benzyl-L-histidine,
1-Benzyl-N-((9H-fluoren-9-ylmethoxy)carbonyl)-L-histidine,
1-benzyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-histidine,
|
| Complexity | 705 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 467.185g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 467.525g/mol |
| Monoisotopic Mass | 467.185g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 93.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precuationary statements
|
|
|
Siginal words
|
|
Certificate of Analysis
Lot Number