| CAS Number | 1145678-36-9 |
| Catalog Number | AG000EPH |
| Chemical Name | (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(3-bromo-4-hydroxyphenyl)propanoic acid |
| IUPAC Name | (2S)-3-(3-bromo-4-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid |
| InChI | InChI=1S/C24H20BrNO5/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-/m0/s1 |
| InChI Key | KPPHAEIHICCEBD-NRFANRHFSA-N |
| MDL Number | MFCD30749916 |
| Molecular Formula | C24H20BrNO5 |
| Molecular Weight | 482.3233 |
| SMILES | C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N[C@H](C(=O)O)CC1=CC(=C(C=C1)O)Br |
| Synonyms | SCHEMBL14060944,
AKOS034820606,
L-Tyrosine, 3-bromo-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-,
1145678-36-9,
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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 | 481.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 482.33g/mol |
| Monoisotopic Mass | 481.052g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 95.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
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Certificate of Analysis
Lot Number