(2S)-2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanoylamino]-N'-phenethyl-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]octanediamide

Systemtic Name: (2S)-2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanoylamino]-N'-phenethyl-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]octanediamide Openeye Name: (2S)-2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-N'-phenethyl-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]octanediamide CAS Name: (2S)-2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)-1-oxoethyl]amino]-N'-phenethyl-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]octanediamide IUPAC Name: (2S)-2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-N'-phenethyl-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]octanediamide Traditional Name: (2S)-2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-N'-phenethyl-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]suberamide Formula: C44H49N5O4 MolecularWeight: 711.89096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)OC)CC(=O)NC(CCCCCC(=O)NCCC3=CC=CC=C3)C(=O)NCCC4=C(NC5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)OC)CC(=O)N[C@@H](CCCCCC(=O)NCCC3=CC=CC=C3)C(=O)NCCC4=C(NC5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C44H49N5O4/c1-30-36(37-28-33(53-2)22-23-39(37)47-30)29-42(51)48-40(20-10-5-11-21-41(50)45-26-24-31-14-6-3-7-15-31)44(52)46-27-25-35-34-18-12-13-19-38(34)49-43(35)32-16-8-4-9-17-32/h3-4,6-9,12-19,22-23,28,40,47,49H,5,10-11,20-21,24-27,29H2,1-2H3,(H,45,50)(H,46,52)(H,48,51)/t40-/m0/s1