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

Systemtic Name: 2-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(1-methyl-9H-$b-carboline-3-carbonyl)amino]-4-(methylthio)butyric acid Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=N1)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=C2C(=CC(=N1)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3N2

InChI

InChI=1S/C18H19N3O3S/c1-10-16-12(11-5-3-4-6-13(11)20-16)9-15(19-10)17(22)21-14(18(23)24)7-8-25-2/h3-6,9,14,20H,7-8H2,1-2H3,(H,21,22)(H,23,24)