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

Systemtic Name: (2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: (2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoate CAS Name: (2S)-2-[[(2S)-2-ammonio-4-(methylthio)-1-oxobutyl]amino]-3-(1H-imidazol-5-yl)propanoate IUPAC Name: (2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: (2S)-2-[[(2S)-2-ammonio-4-(methylthio)butanoyl]amino]-3-(1H-imidazol-5-yl)propionate Formula: C11H18N4O3S MolecularWeight: 286.35062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N4O3S/c1-19-3-2-8(12)10(16)15-9(11(17)18)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