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

Systemtic Name: 2-[[1-(2-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]carbonylamino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[[1-(2-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]amino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[[[1-(2-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-oxomethyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[[1-(2-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]amino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[[1-(2-methoxyphenyl)-9H-$b-carboline-3-carbonyl]amino]-3-(methylthio)propionic acid Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O4S/c1-30-19-10-6-4-8-14(19)20-21-15(13-7-3-5-9-16(13)24-21)11-17(25-20)22(27)26-18(12-31-2)23(28)29/h3-11,18,24H,12H2,1-2H3,(H,26,27)(H,28,29)