| CAS Number | 1219279-39-6 |
| Catalog Number | AG01DPIW(AGN-PC-0WC26I) |
| Chemical Name | Fmoc-4-methyl-DL-tryptophan |
| IUPAC Name | 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methyl-1H-indol-3-yl)propanoic acid |
| InChI | InChI=1S/C27H24N2O4/c1-16-7-6-12-23-25(16)17(14-28-23)13-24(26(30)31)29-27(32)33-15-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h2-12,14,22,24,28H,13,15H2,1H3,(H,29,32)(H,30,31) |
| InChI Key | KMNOFHSFGLLUIN-UHFFFAOYSA-N |
| MDL Number | MFCD09750499 |
| Molecular Formula | C27H24N2O4 |
| Molecular Weight | 440.4905 |
| SMILES | O=C(O)C(NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=CNC5=C4C(C)=CC=C5 |
| Synonyms | Fmoc-4-methyl-DL-tryptophan,
1219279-39-6,
2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-methyl-1H-indol-3-yl)propanoic acid,
FMOC-4-Methoxy-DL-tryptophan,
CTK7G3962,
1374AD,
MFCD09750499,
AKOS015837337,
Fmoc-4-methyl-DL-tryptophan, AldrichCPR,
TR-062196,
J-004713,
2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(4-methyl-1H-indol-3-yl)propanoic acid,
C27H24N2O4,
|
| Complexity | 692 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 440.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 440.499g/mol |
| Monoisotopic Mass | 440.174g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 91.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number