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Specification
The molecular formula is C21H19NO4.
The PubChem CID is 2761703.
It was created on July 19, 2005.
The IUPAC name is (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)hex-5-ynoic acid.
The InChI is InChI=1S/C21H19NO4/c1-2-7-14(12-20(23)24)22-21(25)26-13-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h1,3-6,8-11,14,19H,7,12-13H2,(H,22,25)(H,23,24)/t14-/m0/s1.
The InChIKey is ALHPEVGGGAQSCG-AWEZNQCLSA-N.
The canonical SMILES is C#CCC(CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13.
The molecular weight is 349.4 g/mol.
It has 2 hydrogen bond donor counts.
Yes, it is a canonicalized compound.