N-[5-benzamido-6-[10-(2,6-dibenzamidohexanoylamino)decylamino]-6-oxidanylidene-hexyl]benzamide

Systemtic Name: N-[5-benzamido-6-[10-(2,6-dibenzamidohexanoylamino)decylamino]-6-oxidanylidene-hexyl]benzamide Openeye Name: N-[5-benzamido-6-[10-(2,6-dibenzamidohexanoylamino)decylamino]-6-oxo-hexyl]benzamide CAS Name: N-[5-benzamido-6-[10-[(2,6-dibenzamido-1-oxohexyl)amino]decylamino]-6-oxohexyl]benzamide IUPAC Name: N-[5-benzamido-6-[10-(2,6-dibenzamidohexanoylamino)decylamino]-6-oxohexyl]benzamide Traditional Name: N-[5-benzamido-6-[10-(2,6-dibenzamidohexanoylamino)decylamino]-6-keto-hexyl]benzamide Formula: C50H64N6O6 MolecularWeight: 845.07976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCCCCC(C(=O)NCCCCCCCCCCNC(=O)C(CCCCNC(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCCCCC(C(=O)NCCCCCCCCCCNC(=O)C(CCCCNC(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C50H64N6O6/c57-45(39-25-11-7-12-26-39)51-37-23-19-33-43(55-47(59)41-29-15-9-16-30-41)49(61)53-35-21-5-3-1-2-4-6-22-36-54-50(62)44(56-48(60)42-31-17-10-18-32-42)34-20-24-38-52-46(58)40-27-13-8-14-28-40/h7-18,25-32,43-44H,1-6,19-24,33-38H2,(H,51,57)(H,52,58)(H,53,61)(H,54,62)(H,55,59)(H,56,60)