9088-44-2 Purity
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Specification
The molecular formula of Fmoc-6-chloro-L-tryptophan is C26H21ClN2O4.
The molecular weight of Fmoc-6-chloro-L-tryptophan is 460.9 g/mol.
The IUPAC name of Fmoc-6-chloro-L-tryptophan is (2S)-3-(6-chloro-1H-indol-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid.
The InChI of Fmoc-6-chloro-L-tryptophan is InChI=1S/C26H21ClN2O4/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)/t24-/m0/s1.
The InChIKey of Fmoc-6-chloro-L-tryptophan is FDXGPPBWOOAVEL-DEOSSOPVSA-N.
The canonical SMILES of Fmoc-6-chloro-L-tryptophan is C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CNC5=C4C=CC(=C5)Cl)C(=O)O.
The isomeric SMILES of Fmoc-6-chloro-L-tryptophan is C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CNC5=C4C=CC(=C5)Cl)C(=O)O.
The XLogP3-AA value of Fmoc-6-chloro-L-tryptophan is 5.4.
Fmoc-6-chloro-L-tryptophan has 3 hydrogen bond donor counts.
Fmoc-6-chloro-L-tryptophan has 4 hydrogen bond acceptor counts.