N1,N3,N5-tris[(1S,2R)-2-oxidanyl-1,2-diphenyl-ethyl]benzene-1,3,5-tricarboxamide

Systemtic Name: N1,N3,N5-tris[(1S,2R)-2-oxidanyl-1,2-diphenyl-ethyl]benzene-1,3,5-tricarboxamide Openeye Name: N1,N3,N5-tris[(1S,2R)-2-hydroxy-1,2-diphenyl-ethyl]benzene-1,3,5-tricarboxamide CAS Name: N1,N3,N5-tris[(1S,2R)-2-hydroxy-1,2-diphenylethyl]benzene-1,3,5-tricarboxamide IUPAC Name: 1-N,3-N,5-N-tris[(1S,2R)-2-hydroxy-1,2-diphenylethyl]benzene-1,3,5-tricarboxamide Traditional Name: N1,N3,N5-tris[(1S,2R)-2-hydroxy-1,2-diphenyl-ethyl]benzene-1,3,5-tricarboxamide Formula: C51H45N3O6 MolecularWeight: 795.9195

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(C2=CC=CC=C2)O)NC(=O)C3=CC(=CC(=C3)C(=O)NC(C4=CC=CC=C4)C(C5=CC=CC=C5)O)C(=O)NC(C6=CC=CC=C6)C(C7=CC=CC=C7)O

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]([C@@H](C2=CC=CC=C2)O)NC(=O)C3=CC(=CC(=C3)C(=O)N[C@@H](C4=CC=CC=C4)[C@@H](C5=CC=CC=C5)O)C(=O)N[C@@H](C6=CC=CC=C6)[C@@H](C7=CC=CC=C7)O

InChI

InChI=1S/C51H45N3O6/c55-46(37-25-13-4-14-26-37)43(34-19-7-1-8-20-34)52-49(58)40-31-41(50(59)53-44(35-21-9-2-10-22-35)47(56)38-27-15-5-16-28-38)33-42(32-40)51(60)54-45(36-23-11-3-12-24-36)48(57)39-29-17-6-18-30-39/h1-33,43-48,55-57H,(H,52,58)(H,53,59)(H,54,60)/t43-,44-,45-,46+,47+,48+/m0/s1