7339-87-9 Purity
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Specification
The molecular formula of Fmoc-L-7-azatrp is C25H21N3O4.
The molecular weight of Fmoc-L-7-azatrp is 427.5 g/mol.
The IUPAC name of Fmoc-L-7-azatrp is (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid.
The InChI of Fmoc-L-7-azatrp is InChI=1S/C25H21N3O4/c29-24(30)22(12-15-13-27-23-16(15)10-5-11-26-23)28-25(31)32-14-21-19-8-3-1-6-17(19)18-7-2-4-9-20(18)21/h1-11,13,21-22H,12,14H2,(H,26,27)(H,28,31)(H,29,30)/t22-/m0/s1.
The InChIKey of Fmoc-L-7-azatrp is SEWQKWXKJVYKOO-QFIPXVFZSA-N.
The canonical SMILES of Fmoc-L-7-azatrp is C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CNC5=C4C=CC=N5)C(=O)O.
The isomeric SMILES of Fmoc-L-7-azatrp is C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CNC5=C4C=CC=N5)C(=O)O.
The XLogP3-AA value of Fmoc-L-7-azatrp is 4.
Fmoc-L-7-azatrp has 3 hydrogen bond donor counts.
Fmoc-L-7-azatrp has 5 hydrogen bond acceptor counts.