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

Systemtic Name: (2S)-4-methylsulfanyl-2-[(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)carbonylamino]butanoate Openeye Name: (2S)-4-methylsulfanyl-2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(1-phenyl-9H-$b-carboline-3-carbonyl)amino]butyrate Formula: C23H20N3O3S- MolecularWeight: 418.4882

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C4=CC=CC=C4

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O3S/c1-30-12-11-18(23(28)29)26-22(27)19-13-16-15-9-5-6-10-17(15)24-21(16)20(25-19)14-7-3-2-4-8-14/h2-10,13,18,24H,11-12H2,1H3,(H,26,27)(H,28,29)/p-1/t18-/m0/s1