1-[(2S,3R)-1,3-bis(oxidanyl)octadec-4-yn-2-yl]-3-ethyl-urea

Systemtic Name: 1-[(2S,3R)-1,3-bis(oxidanyl)octadec-4-yn-2-yl]-3-ethyl-urea Openeye Name: 1-ethyl-3-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadec-3-ynyl]urea CAS Name: 1-[(2S,3R)-1,3-dihydroxyoctadec-4-yn-2-yl]-3-ethylurea IUPAC Name: 1-[(2S,3R)-1,3-dihydroxyoctadec-4-yn-2-yl]-3-ethylurea Traditional Name: 1-ethyl-3-[(1S,2R)-2-hydroxy-1-methylol-heptadec-3-ynyl]urea Formula: C21H40N2O3 MolecularWeight: 368.5539

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC#CC(C(CO)NC(=O)NCC)O

Isomeric SMILES

CCCCCCCCCCCCCC#C[C@H]([C@H](CO)NC(=O)NCC)O

InChI

InChI=1S/C21H40N2O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20(25)19(18-24)23-21(26)22-4-2/h19-20,24-25H,3-15,18H2,1-2H3,(H2,22,23,26)/t19-,20+/m0/s1