(2R,6S)-2-(1H-indol-3-ylmethyl)-2-methyl-6-phenyl-1,4,7-triazacycloundecane-3,8,11-trione

Systemtic Name: (2R,6S)-2-(1H-indol-3-ylmethyl)-2-methyl-6-phenyl-1,4,7-triazacycloundecane-3,8,11-trione Openeye Name: (2R,6S)-2-(1H-indol-3-ylmethyl)-2-methyl-6-phenyl-1,4,7-triazacycloundecane-3,8,11-trione CAS Name: (2R,6S)-2-(1H-indol-3-ylmethyl)-2-methyl-6-phenyl-1,4,7-triazacycloundecane-3,8,11-trione IUPAC Name: (2R,6S)-2-(1H-indol-3-ylmethyl)-2-methyl-6-phenyl-1,4,7-triazacycloundecane-3,8,11-trione Traditional Name: (2R,6S)-2-(1H-indol-3-ylmethyl)-2-methyl-6-phenyl-1,4,7-triazacycloundecane-3,8,11-trione Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O3/c1-24(13-17-14-25-19-10-6-5-9-18(17)19)23(31)26-15-20(16-7-3-2-4-8-16)27-21(29)11-12-22(30)28-24/h2-10,14,20,25H,11-13,15H2,1H3,(H,26,31)(H,27,29)(H,28,30)/t20-,24-/m1/s1