methyl (2S)-4-methylsulfanyl-2-(9H-pyrido[3,4-b]indol-3-ylcarbonylamino)butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2

InChI

InChI=1S/C18H19N3O3S/c1-24-18(23)14(7-8-25-2)21-17(22)15-9-12-11-5-3-4-6-13(11)20-16(12)10-19-15/h3-6,9-10,14,20H,7-8H2,1-2H3,(H,21,22)/t14-/m0/s1