137993-41-0 Purity
>98.0%(HPLC)
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Specification
The molecular formula is C24H21NO7S.
Some synonyms include (S)-FMOC-PHENYLALANINE-4-SULFONIC ACID, (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-sulfophenyl)propanoic acid, and L-Phenylalanine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-sulfo.
It has a molecular weight of 467.5 g/mol.
It was created on May 30, 2012.
The IUPAC name is (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-sulfophenyl)propanoic acid.
The InChI is InChI=1S/C24H21NO7S/c26-23(27)22(13-15-9-11-16(12-10-15)33(29,30)31)25-24(28)32-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,25,28)(H,26,27)(H,29,30,31)/t22-/m0/s1.
The InChIKey is KWAQABOTKLHIEO-QFIPXVFZSA-N.
The canonical SMILES is C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CC=C(C=C4)S(=O)(=O)O)C(=O)O.
It has 3 hydrogen bond donor counts.
Yes, it is a canonicalized compound.