| CAS Number | 252049-16-4 |
| Catalog Number | AG00BEW7(AGN-PC-0O89N6) |
| Chemical Name | (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(3-methylimidazol-4-yl)propanoic acid |
| IUPAC Name | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-methylimidazol-4-yl)propanoic acid |
| InChI | InChI=1S/C22H21N3O4/c1-25-13-23-11-14(25)10-20(21(26)27)24-22(28)29-12-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,11,13,19-20H,10,12H2,1H3,(H,24,28)(H,26,27)/t20-/m0/s1 |
| InChI Key | UEDYXEZHNPXCFB-FQEVSTJZSA-N |
| MDL Number | MFCD02259494 |
| Molecular Formula | C22H21N3O4 |
| Molecular Weight | 391.4198 |
| SMILES | O=C(O)[C@H](CC1=CN=CN1C)NC(OCC3C2=C(C4=C3C=CC=C4)C=CC=C2)=O |
| Synonyms | Fmoc-His(3-Me)-OH,
252049-16-4,
(2S)-2-{[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO}-3-(3-METHYLIMIDAZOL-4-YL)PROPANOIC ACID,
Fmoc-His(pi-Me)-OH,
SCHEMBL15729186,
Fmoc-His(3-Me)-OH, AldrichCPR,
ZINC2392285,
6899AH,
AKOS027251076,
AS-49162,
Fmoc-His(-Me)-OH,
FMOC-HIS -OH,
C22H21N3O4,
CID7010692,
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-methylimidazol-4-yl)propanoic Acid,
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| Complexity | 579 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 391.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 391.427g/mol |
| Monoisotopic Mass | 391.153g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 93.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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