(2R,6R)-2-(1H-indol-3-ylmethyl)-2-methyl-6-phenyl-1,4,7-triazacyclododecane-3,8,12-trione

Systemtic Name: (2R,6R)-2-(1H-indol-3-ylmethyl)-2-methyl-6-phenyl-1,4,7-triazacyclododecane-3,8,12-trione Openeye Name: (2R,6R)-2-(1H-indol-3-ylmethyl)-2-methyl-6-phenyl-1,4,7-triazacyclododecane-3,8,12-trione CAS Name: (2R,6R)-2-(1H-indol-3-ylmethyl)-2-methyl-6-phenyl-1,4,7-triazacyclododecane-3,8,12-trione IUPAC Name: (2R,6R)-2-(1H-indol-3-ylmethyl)-2-methyl-6-phenyl-1,4,7-triazacyclododecane-3,8,12-trione Traditional Name: (2R,6R)-2-(1H-indol-3-ylmethyl)-2-methyl-6-phenyl-1,4,7-triazacyclododecane-3,8,12-trione Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NCC(NC(=O)CCCC(=O)N1)C2=CC=CC=C2)CC3=CNC4=CC=CC=C43

Isomeric SMILES

C[C@]1(C(=O)NC[C@H](NC(=O)CCCC(=O)N1)C2=CC=CC=C2)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C25H28N4O3/c1-25(14-18-15-26-20-11-6-5-10-19(18)20)24(32)27-16-21(17-8-3-2-4-9-17)28-22(30)12-7-13-23(31)29-25/h2-6,8-11,15,21,26H,7,12-14,16H2,1H3,(H,27,32)(H,28,30)(H,29,31)/t21-,25+/m0/s1