N,N'-didodecyl-4-[3-(dodecylamino)-3-oxidanylidene-propyl]-4-[(4-ethynylphenyl)carbonylamino]heptanediamide

Systemtic Name: N,N'-didodecyl-4-[3-(dodecylamino)-3-oxidanylidene-propyl]-4-[(4-ethynylphenyl)carbonylamino]heptanediamide Openeye Name: N,N'-didodecyl-4-[3-(dodecylamino)-3-oxo-propyl]-4-[(4-ethynylbenzoyl)amino]heptanediamide CAS Name: N,N'-didodecyl-4-[3-(dodecylamino)-3-oxopropyl]-4-[[(4-ethynylphenyl)-oxomethyl]amino]heptanediamide IUPAC Name: N,N'-didodecyl-4-[3-(dodecylamino)-3-oxopropyl]-4-[(4-ethynylbenzoyl)amino]heptanediamide Traditional Name: 4-[(4-ethynylbenzoyl)amino]-4-[3-keto-3-(laurylamino)propyl]-N,N'-dilauryl-pimelamide Formula: C55H96N4O4 MolecularWeight: 877.37514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)CCC(CCC(=O)NCCCCCCCCCCCC)(CCC(=O)NCCCCCCCCCCCC)NC(=O)C1=CC=C(C=C1)C#C

Isomeric SMILES

CCCCCCCCCCCCNC(=O)CCC(CCC(=O)NCCCCCCCCCCCC)(CCC(=O)NCCCCCCCCCCCC)NC(=O)C1=CC=C(C=C1)C#C

InChI

InChI=1S/C55H96N4O4/c1-5-9-12-15-18-21-24-27-30-33-46-56-51(60)40-43-55(59-54(63)50-38-36-49(8-4)37-39-50,44-41-52(61)57-47-34-31-28-25-22-19-16-13-10-6-2)45-42-53(62)58-48-35-32-29-26-23-20-17-14-11-7-3/h4,36-39H,5-7,9-35,40-48H2,1-3H3,(H,56,60)(H,57,61)(H,58,62)(H,59,63)