(2S)-2-[[(2S)-2-azaniumyl-2-phenyl-ethanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[(2S)-2-azaniumyl-2-phenyl-ethanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[(2S)-2-azaniumyl-2-phenyl-acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2S)-2-ammonio-1-oxo-2-phenylethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[(2S)-2-azaniumyl-2-phenylacetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(2S)-2-ammonio-2-phenyl-acetyl]amino]-4-(methylthio)butyrate Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C(C1=CC=CC=C1)[NH3+]

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)[C@H](C1=CC=CC=C1)[NH3+]

InChI

InChI=1S/C13H18N2O3S/c1-19-8-7-10(13(17)18)15-12(16)11(14)9-5-3-2-4-6-9/h2-6,10-11H,7-8,14H2,1H3,(H,15,16)(H,17,18)/t10-,11-/m0/s1