(2R)-4-methylsulfanyl-2-(9H-pyrido[3,4-b]indol-3-ylcarbonylamino)butanoic acid

Systemtic Name: (2R)-4-methylsulfanyl-2-(9H-pyrido[3,4-b]indol-3-ylcarbonylamino)butanoic acid Openeye Name: (2R)-4-methylsulfanyl-2-(9H-pyrido[3,4-b]indole-3-carbonylamino)butanoic acid CAS Name: (2R)-4-(methylthio)-2-[[oxo(9H-pyrido[3,4-b]indol-3-yl)methyl]amino]butanoic acid IUPAC Name: (2R)-4-methylsulfanyl-2-(9H-pyrido[3,4-b]indole-3-carbonylamino)butanoic acid Traditional Name: (2R)-2-(9H-$b-carboline-3-carbonylamino)-4-(methylthio)butyric acid Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O3S/c1-24-7-6-13(17(22)23)20-16(21)14-8-11-10-4-2-3-5-12(10)19-15(11)9-18-14/h2-5,8-9,13,19H,6-7H2,1H3,(H,20,21)(H,22,23)/t13-/m1/s1