(2S,5S,8R,12R)-2-(1H-indol-3-ylmethyl)-12-morpholin-4-yl-5,8-bis(phenylmethyl)-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (2S,5S,8R,12R)-2-(1H-indol-3-ylmethyl)-12-morpholin-4-yl-5,8-bis(phenylmethyl)-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (2S,5S,8R,12R)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-12-morpholino-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone; 2,2,2-trifluoroacetic acid CAS Name: (2S,5S,8R,12R)-2-(1H-indol-3-ylmethyl)-12-(4-morpholinyl)-5,8-bis(phenylmethyl)-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone; 2,2,2-trifluoroacetic acid IUPAC Name: (2S,5S,8R,12R)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-12-morpholin-4-yl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone; 2,2,2-trifluoroacetic acid Traditional Name: (2S,5S,8R,12R)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-12-morpholino-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-diquinone; 2,2,2-trifluoroacetic acid Formula: C39H43F3N6O7 MolecularWeight: 764.78993

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2CC(=O)NC(C(=O)NC(C(=O)NC(CNC2=O)CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CNC6=CC=CC=C65.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1COCCN1[C@@H]2CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CNC2=O)CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CNC6=CC=CC=C65.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C37H42N6O5.C2HF3O2/c44-34-22-33(43-15-17-48-18-16-43)37(47)39-24-28(19-25-9-3-1-4-10-25)40-35(45)31(20-26-11-5-2-6-12-26)42-36(46)32(41-34)21-27-23-38-30-14-8-7-13-29(27)30;3-2(4,5)1(6)7/h1-14,23,28,31-33,38H,15-22,24H2,(H,39,47)(H,40,45)(H,41,44)(H,42,46);(H,6,7)/t28-,31+,32+,33-;/m1./s1