(E)-2-[(1-azanyl-4-oxidanyl-butan-2-yl)-[(E)-1-azanyl-1-oxidanylidene-octadec-9-en-2-yl]amino]octadec-9-enamide

Systemtic Name: (E)-2-[(1-azanyl-4-oxidanyl-butan-2-yl)-[(E)-1-azanyl-1-oxidanylidene-octadec-9-en-2-yl]amino]octadec-9-enamide Openeye Name: (E)-2-[[1-(aminomethyl)-3-hydroxy-propyl]-[(E)-1-carbamoylheptadec-8-enyl]amino]octadec-9-enamide CAS Name: (E)-2-[(1-amino-4-hydroxybutan-2-yl)-[(E)-1-amino-1-oxooctadec-9-en-2-yl]amino]-9-octadecenamide IUPAC Name: (E)-2-[(1-amino-4-hydroxybutan-2-yl)-[(E)-1-amino-1-oxooctadec-9-en-2-yl]amino]octadec-9-enamide Traditional Name: (E)-2-[[1-(aminomethyl)-3-hydroxy-propyl]-[(E)-1-carbamoylheptadec-8-enyl]amino]octadec-9-enamide Formula: C40H78N4O3 MolecularWeight: 663.07232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCC(C(=O)N)N(C(CCO)CN)C(CCCCCCC=CCCCCCCCC)C(=O)N

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCC(N(C(C(=O)N)CCCCCC/C=C/CCCCCCCC)C(CN)CCO)C(=O)N

InChI

InChI=1S/C40H78N4O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37(39(42)46)44(36(35-41)33-34-45)38(40(43)47)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,36-38,45H,3-16,21-35,41H2,1-2H3,(H2,42,46)(H2,43,47)/b19-17+,20-18+