Fmoc-6-fluoro-dl-tryptophan

• Catalog: OFC1219392558
• CAS: 1219392-55-8
• Category: Fluorinated Indoles
• Synonyms: Fmoc-6-F-Trp-OH
• MDL Number: MFCD02682361

• IUPAC Name: 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(6-fluoro-1H-indol-3-yl)propanoic acid
• InChI: InChI=1S/C26H21FN2O4/c27-16-9-10-17-15(13-28-23(17)12-16)11-24(25(30)31)29-26(32)33-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-10,12-13,22,24,28H,11,14H2,(H,29,32)(H,30,31)
• InChI Key: ZNQAUDMHOJUTJL-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CNC5=C4C=CC(=C5)F)C(=O)O

• Molecular Formula: C26H21FN2O4
• Molecular Weight: 444.45

• XLogP3-AA: 4.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 444.14853532 g/mol
• Monoisotopic Mass: 444.14853532 g/mol
• Topological Polar Surface Area: 91.4Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 698