95503-21-2 Purity
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Specification
The molecular formula is C28H34N2O6.
The synonyms are (4S,5R)-3-(Fmoc-Leu)-2,2,5-trimethyl-oxazolidine-4-carboxylic acid.
The molecular weight is 494.6 g/mol.
The IUPAC name is 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid.
The InChI is InChI=1S/C28H34N2O6/c1-16(2)14-23(25(31)30-24(26(32)33)17(3)36-28(30,4)5)29-27(34)35-15-22-20-12-8-6-10-18(20)19-11-7-9-13-21(19)22/h6-13,16-17,22-24H,14-15H2,1-5H3,(H,29,34)(H,32,33).
The InChIKey is OTDJFZHIGWFIEW-UHFFFAOYSA-N.
The Canonical SMILES is CC1C(N(C(O1)(C)C)C(=O)C(CC(C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O.
The XLogP3-AA value is 4.7.
It has 2 hydrogen bond donor counts.
It has 6 hydrogen bond acceptor counts.
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