N-Fmoc-7-fluoro-L-tryptophan
Catalog: |
BB064650 |
Product Name: |
N-Fmoc-7-fluoro-L-tryptophan |
Synonyms: |
(S)-2-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)-3-(7-FLUORO-1H-INDOL-3-YL)PROPANOIC ACID; n-fmoc-7-fluoro-l-tryptophan; (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(7-fluoro-1H-indol-3-yl)propanoic acid |
IUPAC Name: | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(7-fluoro-1H-indol-3-yl)propanoic acid |
Molecular Weight: | 444.45 |
Molecular Formula: | C26H21FN2O4 |
Canonical SMILES: | C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CNC5=C4C=CC=C5F)C(=O)O |
InChI: | InChI=1S/C26H21FN2O4/c27-22-11-5-10-16-15(13-28-24(16)22)12-23(25(30)31)29-26(32)33-14-21-19-8-3-1-6-17(19)18-7-2-4-9-20(18)21/h1-11,13,21,23,28H,12,14H2,(H,29,32)(H,30,31)/t23-/m0/s1 |
InChI Key: | VSKNZCGVDSEOBY-QHCPKHFHSA-N |
Complexity: | 698 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 444.14853532 |
Formal Charge: | 0 |
Heavy Atom Count: | 33 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 444.14853532 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 91.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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