2199-93-1 Purity
≥97%
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The molecular formula is C24H20BrNO4.
The synonyms include 220497-68-7, Fmoc-(S)-3-Amino-3-(4-bromo-phenyl)-propionic acid, (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-bromophenyl)propanoic acid, and Fmoc-(S)-3-amino-3-(4-bromophenyl)propionic acid.
The molecular weight is 466.3 g/mol.
It was created on July 19, 2005.
The IUPAC name is (3S)-3-(4-bromophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid.
The InChI is InChI=1S/C24H20BrNO4/c25-16-11-9-15(10-12-16)22(13-23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1.
The InChIKey is GVCLAQFMSVKNKH-QFIPXVFZSA-N.
The Canonical SMILES is C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC(=O)O)C4=CC=C(C=C4)Br.
The XLogP3-AA value is 4.8.
The hydrogen bond donor count is 2.