| CAS Number | 1175838-03-5 |
| Catalog Number | AG008UXM(AGN-PC-0WBOA3) |
| Chemical Name | Fmoc-alpha-Methyl-L-4-fluorophenylalanine |
| IUPAC Name | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)-2-methylpropanoic acid |
| InChI | InChI=1S/C25H22FNO4/c1-25(23(28)29,14-16-10-12-17(26)13-11-16)27-24(30)31-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22H,14-15H2,1H3,(H,27,30)(H,28,29)/t25-/m0/s1 |
| InChI Key | HGCDIHMFXNGCRG-VWLOTQADSA-N |
| MDL Number | MFCD08061624 |
| Molecular Formula | C25H22FNO4 |
| Molecular Weight | 419.4449 |
| SMILES | C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N[C@](C(=O)O)(CC1=CC=C(C=C1)F)C |
| Synonyms | 1175838-03-5,
Fmoc-alpha-methyl-L-4-Fluorophe,
Fmoc-4-fluoro--Me-Phe-OH DCHA,
Fmoc-alpha-methyl-D-4-fluorophenylalanine,
Fmoc-alpha-methyl-L-4-Fluorophenylalanine,
ZINC8700683,
6781AH,
MFCD08061622,
FL586-1,
PS-12891,
Fmoc-4-fluoro-a-Me-Phe-OH inverted exclamation mark currency DCHA,
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)-2-methyl-propanoic acid,
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)-2-methyl-propionic acid,
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)-2-methylpropanoic acid,
(2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-(4-fluorophenyl)-2-methylpropanoic acid,
(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(4-fluorophenyl)-2-methylpropanoic acid,
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-fluorophenyl)-2-methylpropanoic acid,
C25H22FNO4,
Fmoc-alpha-methyl-D-4-Fluorophe,
1217777-84-8,
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| Complexity | 627 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 419.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 419.452g/mol |
| Monoisotopic Mass | 419.153g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
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Certificate of Analysis
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