| CAS Number | 478183-59-4 |
| Catalog Number | AG006Z7D(AGN-PC-0OAP4N) |
| Chemical Name | (R)-2-(((9H-FLUOREN-9-YL)METHOXY)CARBONYLAMINO)-3-(3-CHLORO-4-HYDROXYPHENYL)PROPANOIC ACID |
| IUPAC Name | (2R)-3-(3-chloro-4-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid |
| InChI | InChI=1S/C24H20ClNO5/c25-20-11-14(9-10-22(20)27)12-21(23(28)29)26-24(30)31-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19,21,27H,12-13H2,(H,26,30)(H,28,29)/t21-/m1/s1 |
| InChI Key | KHDGYTHHDSEGNQ-OAQYLSRUSA-N |
| MDL Number | MFCD03840399 |
| Molecular Formula | C24H20ClNO5 |
| Molecular Weight | 437.8723 |
| SMILES | OC(C=C1)=C(Cl)C=C1C[C@@H](C(O)=O)NC(OCC2C3=CC=CC=C3C4=CC=CC=C24)=O |
| Synonyms | 478183-59-4,
Fmoc-D-3-chlorotyrosine,
Fmoc-3-chloro-D-tyrosine,
C24H20ClNO5,
(R)-2-(((9H-FLUOREN-9-YL)METHOXY)CARBONYLAMINO)-3-(3-CHLORO-4-HYDROXYPHENYL)PROPANOIC ACID,
CTK4J0353,
DTXSID30718505,
6813AH,
MFCD03840399,
ZINC74937978,
AKOS030240647,
A-8826,
3-Chloro-N-{[(9H-fluoren-9-yl)methoxy]carbonyl}-D-tyrosine,
Fmoc-3-chloro-L-tyrosine,
-2-(( -3- propanoicacid,
478183-58-3,
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| Complexity | 624 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 437.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 437.876g/mol |
| Monoisotopic Mass | 437.103g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 95.9A^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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