| CAS Number | 1260595-45-6 |
| Catalog Number | AG00HIT5(AGN-PC-0WR0CO) |
| Chemical Name | Fmoc-Nα-methyl-O-methyl-L-tyrosine |
| IUPAC Name | (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-(4-methoxyphenyl)propanoic acid |
| InChI | InChI=1S/C26H25NO5/c1-27(24(25(28)29)15-17-11-13-18(31-2)14-12-17)26(30)32-16-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-14,23-24H,15-16H2,1-2H3,(H,28,29)/t24-/m0/s1 |
| InChI Key | FRHSGZVWEBYEIV-DEOSSOPVSA-N |
| MDL Number | MFCD04974263 |
| Molecular Formula | C26H25NO5 |
| Molecular Weight | 431.4804 |
| SMILES | COC1=CC=C(C=C1)C[C@@H](C(O)=O)N(C(OCC2C3=C(C4=CC=CC=C24)C=CC=C3)=O)C |
| Synonyms | Fmoc-N-methyl-O-methyl-L-tyrosine,
Fmoc-Nalpha-methyl-O-methyl-L-tyrosine,
Fmoc-N-Methyl-l-tyrosine methyl ether,
1260595-45-6,
TMA037,
CTK7A2412,
ZINC2541556,
MFCD04974263,
AKOS015837140,
AS-17232,
TR-062413,
M-3756,
(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}-3-(4-methoxyphenyl)propanoic acid,
C26H25NO5,
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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 | 431.173g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 431.488g/mol |
| Monoisotopic Mass | 431.173g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number