(2R,6R)-2-(1H-indol-3-ylmethyl)-2-methyl-6-phenyl-1,4,7-triazacyclotridecane-3,8,13-trione

Systemtic Name: (2R,6R)-2-(1H-indol-3-ylmethyl)-2-methyl-6-phenyl-1,4,7-triazacyclotridecane-3,8,13-trione Openeye Name: (2R,6R)-2-(1H-indol-3-ylmethyl)-2-methyl-6-phenyl-1,4,7-triazacyclotridecane-3,8,13-trione CAS Name: (2R,6R)-2-(1H-indol-3-ylmethyl)-2-methyl-6-phenyl-1,4,7-triazacyclotridecane-3,8,13-trione IUPAC Name: (2R,6R)-2-(1H-indol-3-ylmethyl)-2-methyl-6-phenyl-1,4,7-triazacyclotridecane-3,8,13-trione Traditional Name: (2R,6R)-2-(1H-indol-3-ylmethyl)-2-methyl-6-phenyl-1,4,7-triazacyclotridecane-3,8,13-trione Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O3/c1-26(15-19-16-27-21-12-6-5-11-20(19)21)25(33)28-17-22(18-9-3-2-4-10-18)29-23(31)13-7-8-14-24(32)30-26/h2-6,9-12,16,22,27H,7-8,13-15,17H2,1H3,(H,28,33)(H,29,31)(H,30,32)/t22-,26+/m0/s1