1678-80-4 Purity
96%
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Specification
The molecular formula is C22H25NO6.
The molecular weight is 399.4 g/mol.
It was created on February 7, 2007.
The IUPAC name is (2S)-3,3-diethoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid.
The InChI is InChI=1S/C22H25NO6/c1-3-27-21(28-4-2)19(20(24)25)23-22(26)29-13-18-16-11-7-5-9-14(16)15-10-6-8-12-17(15)18/h5-12,18-19,21H,3-4,13H2,1-2H3,(H,23,26)(H,24,25)/t19-/m1/s1.
The InChIKey is BULDDHWREGWYKA-LJQANCHMSA-N.
The canonical SMILES is CCOC(C(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OCC.
The Nikkaji Number is J2.271.316G.
The XLogP3-AA value is 3.3.
It has 10 rotatable bonds.