N-[(E,2S,3R)-1,3-bis(oxidanyl)octadec-4-en-2-yl]-5-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]pentanamide

Systemtic Name: N-[(E,2S,3R)-1,3-bis(oxidanyl)octadec-4-en-2-yl]-5-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]pentanamide Openeye Name: N-[(E,1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]-5-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]pentanamide CAS Name: N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]-5-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]pentanamide IUPAC Name: N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]-5-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]pentanamide Traditional Name: N-[(E,1S,2R)-2-hydroxy-1-methylol-heptadec-3-enyl]-5-[(7-nitrobenzofurazan-4-yl)amino]valeramide Formula: C29H47N5O6 MolecularWeight: 561.71338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-])O

InChI

InChI=1S/C29H47N5O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-26(36)24(22-35)31-27(37)18-15-16-21-30-23-19-20-25(34(38)39)29-28(23)32-40-33-29/h14,17,19-20,24,26,30,35-36H,2-13,15-16,18,21-22H2,1H3,(H,31,37)/b17-14+/t24-,26+/m0/s1