(E)-N-[2-[3-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]phenyl]octadec-9-enamide

Systemtic Name: (E)-N-[2-[3-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]phenyl]octadec-9-enamide Openeye Name: (E)-N-[2-[3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propanoylamino]phenyl]octadec-9-enamide CAS Name: (E)-N-[2-[[3-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]-1-oxopropyl]amino]phenyl]-9-octadecenamide IUPAC Name: (E)-N-[2-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoylamino]phenyl]octadec-9-enamide Traditional Name: (E)-N-[2-[3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propanoylamino]phenyl]octadec-9-enamide Formula: C33H55N3O5 MolecularWeight: 573.8069

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC1=CC=CC=C1NC(=O)CCNC(=O)C(C(C)(C)CO)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC1=CC=CC=C1NC(=O)CCNC(=O)C(C(C)(C)CO)O

InChI

InChI=1S/C33H55N3O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-29(38)35-27-21-19-20-22-28(27)36-30(39)24-25-34-32(41)31(40)33(2,3)26-37/h11-12,19-22,31,37,40H,4-10,13-18,23-26H2,1-3H3,(H,34,41)(H,35,38)(H,36,39)/b12-11+