(3S,6S,18S,21S)-3,18-bis(1H-indol-3-ylmethyl)-6,21-bis(phenylmethyl)-1,4,7,16,19,22-hexazacyclotriacontane-2,5,8,17,20,23-hexone

Systemtic Name: (3S,6S,18S,21S)-3,18-bis(1H-indol-3-ylmethyl)-6,21-bis(phenylmethyl)-1,4,7,16,19,22-hexazacyclotriacontane-2,5,8,17,20,23-hexone Openeye Name: (3S,6S,18S,21S)-6,21-dibenzyl-3,18-bis(1H-indol-3-ylmethyl)-1,4,7,16,19,22-hexazacyclotriacontane-2,5,8,17,20,23-hexone CAS Name: (3S,6S,18S,21S)-3,18-bis(1H-indol-3-ylmethyl)-6,21-bis(phenylmethyl)-1,4,7,16,19,22-hexazacyclotriacontane-2,5,8,17,20,23-hexone IUPAC Name: (3S,6S,18S,21S)-6,21-dibenzyl-3,18-bis(1H-indol-3-ylmethyl)-1,4,7,16,19,22-hexazacyclotriacontane-2,5,8,17,20,23-hexone Traditional Name: (3S,6S,18S,21S)-6,21-dibenzyl-3,18-bis(1H-indol-3-ylmethyl)-1,4,7,16,19,22-hexazacyclotriacontane-2,5,8,17,20,23-triquinone Formula: C56H68N8O6 MolecularWeight: 949.18912

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(=O)NC(C(=O)NC(C(=O)NCCCCCCCC(=O)NC(C(=O)NC(C(=O)NCCC1)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CNC6=CC=CC=C65)CC7=CC=CC=C7

Isomeric SMILES

C1CCCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCCCCCCCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCCC1)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CNC6=CC=CC=C65)CC7=CC=CC=C7

InChI

InChI=1S/C56H68N8O6/c65-51-29-13-3-1-5-19-31-57-53(67)49(35-41-37-59-45-27-17-15-25-43(41)45)63-56(70)48(34-40-23-11-8-12-24-40)62-52(66)30-14-4-2-6-20-32-58-54(68)50(36-42-38-60-46-28-18-16-26-44(42)46)64-55(69)47(61-51)33-39-21-9-7-10-22-39/h7-12,15-18,21-28,37-38,47-50,59-60H,1-6,13-14,19-20,29-36H2,(H,57,67)(H,58,68)(H,61,65)(H,62,66)(H,63,70)(H,64,69)/t47-,48-,49-,50-/m0/s1