N-[(1R,2S)-1,3-bis(oxidanyl)-1-(2-tridecylcyclopropen-1-yl)propan-2-yl]-2-oxidanylidene-octanamide

Systemtic Name: N-[(1R,2S)-1,3-bis(oxidanyl)-1-(2-tridecylcyclopropen-1-yl)propan-2-yl]-2-oxidanylidene-octanamide Openeye Name: N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-2-(2-tridecylcyclopropen-1-yl)ethyl]-2-oxo-octanamide CAS Name: N-[(1R,2S)-1,3-dihydroxy-1-(2-tridecyl-1-cyclopropenyl)propan-2-yl]-2-oxooctanamide IUPAC Name: N-[(1R,2S)-1,3-dihydroxy-1-(2-tridecylcyclopropen-1-yl)propan-2-yl]-2-oxooctanamide Traditional Name: N-[(1S,2R)-2-hydroxy-1-methylol-2-(2-tridecylcyclopropen-1-yl)ethyl]-2-keto-caprylamide Formula: C27H49NO4 MolecularWeight: 451.68226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=C(C1)C(C(CO)NC(=O)C(=O)CCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCC1=C(C1)[C@H]([C@H](CO)NC(=O)C(=O)CCCCCC)O

InChI

InChI=1S/C27H49NO4/c1-3-5-7-9-10-11-12-13-14-15-16-18-22-20-23(22)26(31)24(21-29)28-27(32)25(30)19-17-8-6-4-2/h24,26,29,31H,3-21H2,1-2H3,(H,28,32)/t24-,26+/m0/s1