tert-butyl N-[(2S)-1-oxidanyl-3-oxidanylidene-octadecan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-oxidanyl-3-oxidanylidene-octadecan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-(hydroxymethyl)-2-oxo-heptadecyl]carbamate CAS Name: N-[(2S)-1-hydroxy-3-oxooctadecan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-hydroxy-3-oxooctadecan-2-yl]carbamate Traditional Name: N-[(1S)-2-keto-1-methylol-heptadecyl]carbamic acid tert-butyl ester Formula: C23H45NO4 MolecularWeight: 399.6077

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(CO)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)[C@H](CO)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(26)20(19-25)24-22(27)28-23(2,3)4/h20,25H,5-19H2,1-4H3,(H,24,27)/t20-/m0/s1