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

Systemtic Name: 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[3-(3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-4-(methylthio)butyric acid Formula: C13H21N3O3S MolecularWeight: 299.38914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)NC(CCSC)C(=O)O)C

Isomeric SMILES

CC1=CC(=NN1CCC(=O)NC(CCSC)C(=O)O)C

InChI

InChI=1S/C13H21N3O3S/c1-9-8-10(2)16(15-9)6-4-12(17)14-11(13(18)19)5-7-20-3/h8,11H,4-7H2,1-3H3,(H,14,17)(H,18,19)