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

Systemtic Name: 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4-(methylthio)butyric acid Formula: C12H19N3O3S MolecularWeight: 285.36256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1)C)CC(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C12H19N3O3S/c1-7-9(8(2)15-14-7)6-11(16)13-10(12(17)18)4-5-19-3/h10H,4-6H2,1-3H3,(H,13,16)(H,14,15)(H,17,18)