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

Systemtic Name: 2-[[1-(2-ethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]carbonylamino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[[1-(2-ethoxyphenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]amino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[[[1-(2-ethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-oxomethyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[[1-(2-ethoxyphenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]amino]-3-methylsulfanylpropanoic acid Traditional Name: 3-(methylthio)-2-[(1-o-phenetyl-9H-$b-carboline-3-carbonyl)amino]propionic acid Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=C3C(=CC(=N2)C(=O)NC(CSC)C(=O)O)C4=CC=CC=C4N3

Isomeric SMILES

CCOC1=CC=CC=C1C2=C3C(=CC(=N2)C(=O)NC(CSC)C(=O)O)C4=CC=CC=C4N3

InChI

InChI=1S/C24H23N3O4S/c1-3-31-20-11-7-5-9-15(20)21-22-16(14-8-4-6-10-17(14)25-22)12-18(26-21)23(28)27-19(13-32-2)24(29)30/h4-12,19,25H,3,13H2,1-2H3,(H,27,28)(H,29,30)