(2S)-2-azanyl-N-(4-methylphenyl)-N'-[4-[10,15,20-tris(4-methylphenyl)-21,22-dihydroporphyrin-5-yl]phenyl]butanediamide

Systemtic Name: (2S)-2-azanyl-N-(4-methylphenyl)-N'-[4-[10,15,20-tris(4-methylphenyl)-21,22-dihydroporphyrin-5-yl]phenyl]butanediamide Openeye Name: (2S)-2-amino-N-(p-tolyl)-N'-[4-[10,15,20-tris(p-tolyl)-21,22-dihydroporphyrin-5-yl]phenyl]butanediamide CAS Name: (2S)-2-amino-N-(4-methylphenyl)-N'-[4-[10,15,20-tris(4-methylphenyl)-21,22-dihydroporphyrin-5-yl]phenyl]butanediamide IUPAC Name: (2S)-2-amino-N-(4-methylphenyl)-N'-[4-[10,15,20-tris(4-methylphenyl)-21,22-dihydroporphyrin-5-yl]phenyl]butanediamide Traditional Name: (2S)-2-amino-N-(p-tolyl)-N'-[4-[10,15,20-tris(p-tolyl)-21,22-dihydroporphin-5-yl]phenyl]succinamide Formula: C58H49N7O2 MolecularWeight: 876.05536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)C9=CC=C(C=C9)NC(=O)CC(C(=O)NC1=CC=C(C=C1)C)N)N3

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)C9=CC=C(C=C9)NC(=O)C[C@@H](C(=O)NC1=CC=C(C=C1)C)N)N3

InChI

InChI=1S/C58H49N7O2/c1-34-5-13-38(14-6-34)54-45-25-27-47(62-45)55(39-15-7-35(2)8-16-39)49-29-31-51(64-49)57(52-32-30-50(65-52)56(48-28-26-46(54)63-48)40-17-9-36(3)10-18-40)41-19-23-42(24-20-41)60-53(66)33-44(59)58(67)61-43-21-11-37(4)12-22-43/h5-32,44,64-65H,33,59H2,1-4H3,(H,60,66)(H,61,67)/t44-/m0/s1