| CAS Number | 925939-82-8 |
| Catalog Number | AG00GS79(AGN-PC-0WC26K) |
| Chemical Name | 2-((((9H-Fluoren-9-Yl)Methoxy)Carbonyl)Amino)-3-(5-Bromo-1H-Indol-3-Yl)Propanoic Acid |
| IUPAC Name | 3-(5-bromo-1H-indol-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid |
| InChI | InChI=1S/C26H21BrN2O4/c27-16-9-10-23-21(12-16)15(13-28-23)11-24(25(30)31)29-26(32)33-14-22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-10,12-13,22,24,28H,11,14H2,(H,29,32)(H,30,31) |
| InChI Key | OAIIUHJPRPJYHV-UHFFFAOYSA-N |
| MDL Number | MFCD02682357 |
| Molecular Formula | C26H21BrN2O4 |
| Molecular Weight | 505.3599 |
| SMILES | C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)NC(C(=O)O)CC1=CNC2=CC=C(C=C12)Br |
| Synonyms | Fmoc-5-bromo-DL-tryptophan,
925939-82-8,
2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(5-bromo-1H-indol-3-yl)propanoic acid,
SCHEMBL5152126,
CTK7G3963,
3380AF,
AKOS015837438,
TR-062198,
3-(5-bromo-1H-indol-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid,
3-(5-bromo-1H-indol-3-yl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid,
C26H21BrN2O4,
5-Bromo-N-Fmoc-L-tryptophan,
5-Bromo-N-Fmoc-DL-tryptophan,
N/A,
2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(5-bromo-1H-indol-3-yl)propanoic acid,
460751-66-0,
|
| Complexity | 698 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 504.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 505.368g/mol |
| Monoisotopic Mass | 504.068g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 91.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number