(E)-N'-[2-[[(E)-18-azanyl-12-oxidanyl-18-oxidanylidene-octadec-9-enoyl]amino]ethyl]-7-oxidanyl-octadec-9-enediamide

Systemtic Name: (E)-N'-[2-[[(E)-18-azanyl-12-oxidanyl-18-oxidanylidene-octadec-9-enoyl]amino]ethyl]-7-oxidanyl-octadec-9-enediamide Openeye Name: (E)-N'-[2-[[(E)-18-amino-12-hydroxy-18-oxo-octadec-9-enoyl]amino]ethyl]-7-hydroxy-octadec-9-enediamide CAS Name: (E)-N'-[2-[[(E)-18-amino-12-hydroxy-1,18-dioxooctadec-9-enyl]amino]ethyl]-7-hydroxy-9-octadecenediamide IUPAC Name: (E)-N'-[2-[[(E)-18-amino-12-hydroxy-18-oxooctadec-9-enoyl]amino]ethyl]-7-hydroxyoctadec-9-enediamide Traditional Name: (E)-N'-[2-[[(E)-18-amino-12-hydroxy-18-keto-octadec-9-enoyl]amino]ethyl]-7-hydroxy-octadec-9-enediamide Formula: C38H70N4O6 MolecularWeight: 678.9856

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCC=CCC(CCCCCC(=O)N)O)CCCC(=O)NCCNC(=O)CCCCCCCC=CCC(CCCCCC(=O)N)O

Isomeric SMILES

C(CCCC(=O)NCCNC(=O)CCCCCCC/C=C/CC(O)CCCCCC(=O)N)CCC/C=C/CC(O)CCCCCC(=O)N

InChI

InChI=1S/C38H70N4O6/c39-35(45)27-19-13-17-25-33(43)23-15-9-5-1-3-7-11-21-29-37(47)41-31-32-42-38(48)30-22-12-8-4-2-6-10-16-24-34(44)26-18-14-20-28-36(40)46/h9-10,15-16,33-34,43-44H,1-8,11-14,17-32H2,(H2,39,45)(H2,40,46)(H,41,47)(H,42,48)/b15-9+,16-10+