2-[[2-[[3-(2-carboxyethyl)-1H-indol-2-yl]sulfanyl]-1H-indol-3-yl]methyl]butanoic acid

Systemtic Name: 2-[[2-[[3-(2-carboxyethyl)-1H-indol-2-yl]sulfanyl]-1H-indol-3-yl]methyl]butanoic acid Openeye Name: 2-[[2-[[3-(2-carboxyethyl)-1H-indol-2-yl]sulfanyl]-1H-indol-3-yl]methyl]butanoic acid CAS Name: 2-[[2-[[3-(2-carboxyethyl)-1H-indol-2-yl]thio]-1H-indol-3-yl]methyl]butanoic acid IUPAC Name: 2-[[2-[[3-(2-carboxyethyl)-1H-indol-2-yl]sulfanyl]-1H-indol-3-yl]methyl]butanoic acid Traditional Name: 2-[[2-[[3-(2-carboxyethyl)-1H-indol-2-yl]thio]-1H-indol-3-yl]methyl]butyric acid Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=C(NC2=CC=CC=C21)SC3=C(C4=CC=CC=C4N3)CCC(=O)O)C(=O)O

Isomeric SMILES

CCC(CC1=C(NC2=CC=CC=C21)SC3=C(C4=CC=CC=C4N3)CCC(=O)O)C(=O)O

InChI

InChI=1S/C24H24N2O4S/c1-2-14(24(29)30)13-18-16-8-4-6-10-20(16)26-23(18)31-22-17(11-12-21(27)28)15-7-3-5-9-19(15)25-22/h3-10,14,25-26H,2,11-13H2,1H3,(H,27,28)(H,29,30)