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

Systemtic Name: 3-methylsulfanyl-2-[(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)carbonylamino]propanoic acid Openeye Name: 3-methylsulfanyl-2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid CAS Name: 3-(methylthio)-2-[[oxo-(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methyl]amino]propanoic acid IUPAC Name: 3-methylsulfanyl-2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid Traditional Name: 3-(methylthio)-2-[(1-phenyl-9H-$b-carboline-3-carbonyl)amino]propionic acid Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(=O)O)NC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C4=CC=CC=C4

Isomeric SMILES

CSCC(C(=O)O)NC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O3S/c1-29-12-18(22(27)28)25-21(26)17-11-15-14-9-5-6-10-16(14)23-20(15)19(24-17)13-7-3-2-4-8-13/h2-11,18,23H,12H2,1H3,(H,25,26)(H,27,28)