4-methylsulfanyl-2-(2-pyrazol-1-ylpropanoylamino)butanoic acid

Systemtic Name: 4-methylsulfanyl-2-(2-pyrazol-1-ylpropanoylamino)butanoic acid Openeye Name: 4-methylsulfanyl-2-(2-pyrazol-1-ylpropanoylamino)butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-2-(1-pyrazolyl)propyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-(2-pyrazol-1-ylpropanoylamino)butanoic acid Traditional Name: 4-(methylthio)-2-(2-pyrazol-1-ylpropanoylamino)butyric acid Formula: C11H17N3O3S MolecularWeight: 271.33598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCSC)C(=O)O)N1C=CC=N1

Isomeric SMILES

CC(C(=O)NC(CCSC)C(=O)O)N1C=CC=N1

InChI

InChI=1S/C11H17N3O3S/c1-8(14-6-3-5-12-14)10(15)13-9(11(16)17)4-7-18-2/h3,5-6,8-9H,4,7H2,1-2H3,(H,13,15)(H,16,17)