944276-44-2 Purity
96%
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Specification
The molecular formula is C26H30N2O8.
The molecular weight is 498.5 g/mol.
The IUPAC name is 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyloxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
The InChI is InChI=1S/C26H30N2O8/c1-15(23(31)34-14-21(22(29)30)28-25(33)36-26(2,3)4)27-24(32)35-13-20-18-11-7-5-9-16(18)17-10-6-8-12-19(17)20/h5-12,15,20-21H,13-14H2,1-4H3,(H,27,32)(H,28,33)(H,29,30).
The InChIKey is JNJCOUIAJPRCEQ-UHFFFAOYSA-N.
The canonical SMILES is CC(C(=O)OCC(C(=O)O)NC(=O)OC(C)(C)C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13.
The XLogP3-AA value is 3.7.
Boc-Ser(Ala-Fmoc)-OH has 3 hydrogen bond donor counts.
Boc-Ser(Ala-Fmoc)-OH has 8 hydrogen bond acceptor counts.
Boc-Ser(Ala-Fmoc)-OH has 12 rotatable bond counts.