2-[[1-(2-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[1-(2-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[1-(2-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[1-(2-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[1-(2-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[1-(2-methoxyphenyl)-9H-$b-carboline-3-carbonyl]amino]-4-(methylthio)butyric acid Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=C3C(=CC(=N2)C(=O)NC(CCSC)C(=O)O)C4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=CC=C1C2=C3C(=CC(=N2)C(=O)NC(CCSC)C(=O)O)C4=CC=CC=C4N3

InChI

InChI=1S/C24H23N3O4S/c1-31-20-10-6-4-8-15(20)21-22-16(14-7-3-5-9-17(14)25-22)13-19(26-21)23(28)27-18(24(29)30)11-12-32-2/h3-10,13,18,25H,11-12H2,1-2H3,(H,27,28)(H,29,30)