(2S)-2-[[(2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[(2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[(2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2S)-2-ammonio-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[(2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(2S)-2-ammonio-3-(1H-imidazol-5-yl)propanoyl]amino]-4-(methylthio)butyrate Formula: C11H18N4O3S MolecularWeight: 286.35062

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C(CC1=CN=CN1)[NH3+]

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)[C@H](CC1=CN=CN1)[NH3+]

InChI

InChI=1S/C11H18N4O3S/c1-19-3-2-9(11(17)18)15-10(16)8(12)4-7-5-13-6-14-7/h5-6,8-9H,2-4,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)/t8-,9-/m0/s1