4-methylsulfanyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-3-(1,3,5-trimethyl-4-pyrazolyl)propyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid Traditional Name: 4-(methylthio)-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butyric acid Formula: C14H23N3O3S MolecularWeight: 313.41572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CCC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C)C)CCC(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C14H23N3O3S/c1-9-11(10(2)17(3)16-9)5-6-13(18)15-12(14(19)20)7-8-21-4/h12H,5-8H2,1-4H3,(H,15,18)(H,19,20)