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

Systemtic Name: (2S)-N'-(2-aminophenyl)-2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanoylamino]-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]octanediamide Openeye Name: (2S)-N'-(2-aminophenyl)-2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]octanediamide CAS Name: (2S)-N'-(2-aminophenyl)-2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)-1-oxoethyl]amino]-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]octanediamide IUPAC Name: (2S)-N'-(2-aminophenyl)-2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]octanediamide Traditional Name: (2S)-N'-(2-aminophenyl)-2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]suberamide Formula: C42H46N6O4 MolecularWeight: 698.85244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)OC)CC(=O)NC(CCCCCC(=O)NC3=CC=CC=C3N)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)NC3=CC=CC=C3N)C(=O)NCCC4=C(NC5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C42H46N6O4/c1-27-32(33-25-29(52-2)21-22-36(33)45-27)26-40(50)47-38(19-7-4-8-20-39(49)46-37-18-12-10-16-34(37)43)42(51)44-24-23-31-30-15-9-11-17-35(30)48-41(31)28-13-5-3-6-14-28/h3,5-6,9-18,21-22,25,38,45,48H,4,7-8,19-20,23-24,26,43H2,1-2H3,(H,44,51)(H,46,49)(H,47,50)/t38-/m0/s1