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Specification
The molecular formula is C24H21NO4.
The molecular weight is 387.4 g/mol.
The IUPAC name is 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acid.
The InChI is InChI=1S/C24H21NO4/c26-23(27)14-22(16-8-2-1-3-9-16)25-24(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22H,14-15H2,(H,25,28)(H,2
The InChIKey is PTSLRPMRTOVHAB-UHFFFAOYSA-N.
The canonical SMILES is C1=CC=C(C=C1)C(CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24.
The CAS number is 180181-93-5.
The XLogP3-AA value is 4.1.
It has 2 hydrogen bond donor counts.
It has 7 rotatable bond counts.