(phenylmethyl) (2S,4S)-2-tert-butyl-5-oxidanylidene-4-(13-oxidanyltridecyl)-1,3-oxazolidine-3-carboxylate

Systemtic Name: (phenylmethyl) (2S,4S)-2-tert-butyl-5-oxidanylidene-4-(13-oxidanyltridecyl)-1,3-oxazolidine-3-carboxylate Openeye Name: benzyl (2S,4S)-2-tert-butyl-4-(13-hydroxytridecyl)-5-oxo-oxazolidine-3-carboxylate CAS Name: (2S,4S)-2-tert-butyl-4-(13-hydroxytridecyl)-5-oxo-3-oxazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,4S)-2-tert-butyl-4-(13-hydroxytridecyl)-5-oxo-1,3-oxazolidine-3-carboxylate Traditional Name: (2S,4S)-2-tert-butyl-4-(13-hydroxytridecyl)-5-keto-oxazolidine-3-carboxylic acid benzyl ester Formula: C28H45NO5 MolecularWeight: 475.6606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1N(C(C(=O)O1)CCCCCCCCCCCCCO)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)[C@H]1N([C@H](C(=O)O1)CCCCCCCCCCCCCO)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C28H45NO5/c1-28(2,3)26-29(27(32)33-22-23-18-14-13-15-19-23)24(25(31)34-26)20-16-11-9-7-5-4-6-8-10-12-17-21-30/h13-15,18-19,24,26,30H,4-12,16-17,20-22H2,1-3H3/t24-,26-/m0/s1