4-[1-methyl-2-[[1-methyl-3-(4-oxidanyl-4-oxidanylidene-butyl)indol-2-yl]disulfanyl]indol-3-yl]butanoic acid

Systemtic Name: 4-[1-methyl-2-[[1-methyl-3-(4-oxidanyl-4-oxidanylidene-butyl)indol-2-yl]disulfanyl]indol-3-yl]butanoic acid Openeye Name: 4-[2-[[3-(4-hydroxy-4-oxo-butyl)-1-methyl-indol-2-yl]disulfanyl]-1-methyl-indol-3-yl]butanoic acid CAS Name: 4-[2-[[3-(4-hydroxy-4-oxobutyl)-1-methyl-2-indolyl]disulfanyl]-1-methyl-3-indolyl]butanoic acid IUPAC Name: 4-[2-[[3-(4-hydroxy-4-oxobutyl)-1-methylindol-2-yl]disulfanyl]-1-methylindol-3-yl]butanoic acid Traditional Name: 4-[2-[[3-(4-hydroxy-4-keto-butyl)-1-methyl-indol-2-yl]disulfanyl]-1-methyl-indol-3-yl]butyric acid Formula: C26H28N2O4S2 MolecularWeight: 496.64152

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1SSC3=C(C4=CC=CC=C4N3C)CCCC(=O)O)CCCC(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1SSC3=C(C4=CC=CC=C4N3C)CCCC(=O)O)CCCC(=O)O

InChI

InChI=1S/C26H28N2O4S2/c1-27-21-13-5-3-9-17(21)19(11-7-15-23(29)30)25(27)33-34-26-20(12-8-16-24(31)32)18-10-4-6-14-22(18)28(26)2/h3-6,9-10,13-14H,7-8,11-12,15-16H2,1-2H3,(H,29,30)(H,31,32)