(2R,6R)-2-(1H-indol-3-ylmethyl)-2-methyl-6-phenyl-1,4,7-triazacyclotetradecane-3,8,14-trione

Systemtic Name: (2R,6R)-2-(1H-indol-3-ylmethyl)-2-methyl-6-phenyl-1,4,7-triazacyclotetradecane-3,8,14-trione Openeye Name: (2R,6R)-2-(1H-indol-3-ylmethyl)-2-methyl-6-phenyl-1,4,7-triazacyclotetradecane-3,8,14-trione CAS Name: (2R,6R)-2-(1H-indol-3-ylmethyl)-2-methyl-6-phenyl-1,4,7-triazacyclotetradecane-3,8,14-trione IUPAC Name: (2R,6R)-2-(1H-indol-3-ylmethyl)-2-methyl-6-phenyl-1,4,7-triazacyclotetradecane-3,8,14-trione Traditional Name: (2R,6R)-2-(1H-indol-3-ylmethyl)-2-methyl-6-phenyl-1,4,7-triazacyclotetradecane-3,8,14-trione Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O3/c1-27(16-20-17-28-22-13-9-8-12-21(20)22)26(34)29-18-23(19-10-4-2-5-11-19)30-24(32)14-6-3-7-15-25(33)31-27/h2,4-5,8-13,17,23,28H,3,6-7,14-16,18H2,1H3,(H,29,34)(H,30,32)(H,31,33)/t23-,27+/m0/s1