(2S)-2-(1H-indol-3-ylcarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-(1H-indol-3-ylcarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-(1H-indole-3-carbonylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[1H-indol-3-yl(oxo)methyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-(1H-indole-3-carbonylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(1H-indole-3-carbonylamino)-4-(methylthio)butyrate Formula: C14H15N2O3S- MolecularWeight: 291.3455

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C1=CNC2=CC=CC=C21

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)C1=CNC2=CC=CC=C21

InChI

InChI=1S/C14H16N2O3S/c1-20-7-6-12(14(18)19)16-13(17)10-8-15-11-5-3-2-4-9(10)11/h2-5,8,12,15H,6-7H2,1H3,(H,16,17)(H,18,19)/p-1/t12-/m0/s1