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

Systemtic Name: 4-methylsulfanyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-2-(1,3,5-trimethyl-4-pyrazolyl)ethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]butyric acid Formula: C13H21N3O3S MolecularWeight: 299.38914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O3S/c1-8-10(9(2)16(3)15-8)7-12(17)14-11(13(18)19)5-6-20-4/h11H,5-7H2,1-4H3,(H,14,17)(H,18,19)