(2S,3S)-2-[(1,5-dimethylpyrazol-4-yl)carbonylamino]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[(1,5-dimethylpyrazol-4-yl)carbonylamino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[(1,5-dimethyl-4-pyrazolyl)-oxomethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methyl-valerate Formula: C12H18N3O3- MolecularWeight: 252.28962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)C1=C(N(N=C1)C)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)C1=C(N(N=C1)C)C

InChI

InChI=1S/C12H19N3O3/c1-5-7(2)10(12(17)18)14-11(16)9-6-13-15(4)8(9)3/h6-7,10H,5H2,1-4H3,(H,14,16)(H,17,18)/p-1/t7-,10-/m0/s1