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

Systemtic Name: 2-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)carbonylamino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)-oxomethyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[(1-methyl-9H-$b-carboline-3-carbonyl)amino]-3-(methylthio)propionic acid Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O3S/c1-9-15-11(10-5-3-4-6-12(10)19-15)7-13(18-9)16(21)20-14(8-24-2)17(22)23/h3-7,14,19H,8H2,1-2H3,(H,20,21)(H,22,23)