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

Systemtic Name: N,N'-didodecyl-4-[3-(dodecylamino)-3-oxidanylidene-propyl]-4-[(4-iodophenyl)carbonylamino]heptanediamide Openeye Name: N,N'-didodecyl-4-[3-(dodecylamino)-3-oxo-propyl]-4-[(4-iodobenzoyl)amino]heptanediamide CAS Name: N,N'-didodecyl-4-[3-(dodecylamino)-3-oxopropyl]-4-[[(4-iodophenyl)-oxomethyl]amino]heptanediamide IUPAC Name: N,N'-didodecyl-4-[3-(dodecylamino)-3-oxopropyl]-4-[(4-iodobenzoyl)amino]heptanediamide Traditional Name: 4-[(4-iodobenzoyl)amino]-4-[3-keto-3-(laurylamino)propyl]-N,N'-dilauryl-pimelamide Formula: C53H95IN4O4 MolecularWeight: 979.25027

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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)I

Isomeric SMILES

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

InChI

InChI=1S/C53H95IN4O4/c1-4-7-10-13-16-19-22-25-28-31-44-55-49(59)38-41-53(58-52(62)47-34-36-48(54)37-35-47,42-39-50(60)56-45-32-29-26-23-20-17-14-11-8-5-2)43-40-51(61)57-46-33-30-27-24-21-18-15-12-9-6-3/h34-37H,4-33,38-46H2,1-3H3,(H,55,59)(H,56,60)(H,57,61)(H,58,62)