(2S)-4-methylsulfanyl-2-(3-pyrazol-1-ylpropanoylamino)butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-(3-pyrazol-1-ylpropanoylamino)butanoate Openeye Name: (2S)-4-methylsulfanyl-2-(3-pyrazol-1-ylpropanoylamino)butanoate CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-3-(1-pyrazolyl)propyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-(3-pyrazol-1-ylpropanoylamino)butanoate Traditional Name: (2S)-4-(methylthio)-2-(3-pyrazol-1-ylpropanoylamino)butyrate Formula: C11H16N3O3S- MolecularWeight: 270.32804

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)CCN1C=CC=N1

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)CCN1C=CC=N1

InChI

InChI=1S/C11H17N3O3S/c1-18-8-4-9(11(16)17)13-10(15)3-7-14-6-2-5-12-14/h2,5-6,9H,3-4,7-8H2,1H3,(H,13,15)(H,16,17)/p-1/t9-/m0/s1