| CAS Number | 220497-51-8 |
| Catalog Number | AG01DO6G(AGN-PC-0WC25B) |
| Chemical Name | 5-Bromo-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-methoxy-L-phenylalanine |
| IUPAC Name | (2S)-3-(5-bromo-2-methoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid |
| InChI | InChI=1S/C25H22BrNO5/c1-31-23-11-10-16(26)12-15(23)13-22(24(28)29)27-25(30)32-14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-12,21-22H,13-14H2,1H3,(H,27,30)(H,28,29)/t22-/m0/s1 |
| InChI Key | QIIKXJDEJNMZBK-QFIPXVFZSA-N |
| MDL Number | MFCD01311746 |
| Molecular Formula | C25H22BrNO5 |
| Molecular Weight | 496.3499 |
| SMILES | O=C(N[C@@H](CC1=CC(Br)=CC=C1OC)C(O)=O)OCC2C3=C(C4=C2C=CC=C4)C=CC=C3 |
| Synonyms | Fmoc-5-bromo-2-methoxy-L-phenylalanine,
220497-51-8,
C25H22BrNO5,
CTK7A5854,
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(5-bromo-2-methoxyphenyl)propanoic acid,
ZINC2243679,
7525AD,
AKOS015837104,
TR-062102,
(2S)-3-(5-bromo-2-methoxyphenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid,
|
| Complexity | 638 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 495.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 496.357g/mol |
| Monoisotopic Mass | 495.068g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.3 |
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Certificate of Analysis
Lot Number