(2S)-4-methylsulfanyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbonylamino]butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbonylamino]butanoate Openeye Name: (2S)-4-methylsulfanyl-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-(1,3,5-trimethyl-4-pyrazolyl)methyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]butyrate Formula: C12H18N3O3S- MolecularWeight: 284.35462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C12H19N3O3S/c1-7-10(8(2)15(3)14-7)11(16)13-9(12(17)18)5-6-19-4/h9H,5-6H2,1-4H3,(H,13,16)(H,17,18)/p-1/t9-/m0/s1