(2S)-2-[(1,5-dimethylpyrazol-4-yl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(1,5-dimethylpyrazol-4-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(1,5-dimethyl-4-pyrazolyl)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-(methylthio)butyrate Formula: C11H16N3O3S- MolecularWeight: 270.32804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC1=C(C=NN1C)C(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C11H17N3O3S/c1-7-8(6-12-14(7)2)10(15)13-9(11(16)17)4-5-18-3/h6,9H,4-5H2,1-3H3,(H,13,15)(H,16,17)/p-1/t9-/m0/s1