(2S)-2-[[4-(azaniumylmethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[4-(azaniumylmethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[4-(azaniumylmethyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[4-(ammoniomethyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[4-(azaniumylmethyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[4-(ammoniomethyl)benzoyl]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)C1=CC=C(C=C1)C[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3S/c1-19-7-6-11(13(17)18)15-12(16)10-4-2-9(8-14)3-5-10/h2-5,11H,6-8,14H2,1H3,(H,15,16)(H,17,18)/t11-/m0/s1