1310-43-6 Purity
99.5%
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The molecular formula is C30H31NO6.
The synonyms are 222842-99-1, Fmoc-L-4-(OtButylcarboxymethyl)phe-OH, (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(2-(tert-butoxy)-2-oxoethyl)phenyl)propanoic acid, (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]propanoic acid, and Fmoc-L-4-(O-tert-butylcarboxymethyl)phe-OH.
The molecular weight is 501.6 g/mol.
It was created on February 12, 2007.
It was last modified on October 21, 2023.
The IUPAC name is (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]propanoic acid.
The InChI is InChI=1S/C30H31NO6/c1-30(2,3)37-27(32)17-20-14-12-19(13-15-20)16-26(28(33)34)31-29(35)36-18-25-23-10-6-4-8-21(23)22-9-5-7-11-24(22)25/h4-15,25-26H,16-18H2,1-3H3,(H,31,35)(H,33,34)/t26-/m0/s1.
The InChIKey is SHGRYGUUIUHNLH-SANMLTNESA-N.
The canonical SMILES is CC(C)(C)OC(=O)CC1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24.
The XLogP3-AA value is 5.4.