(2S)-2-[4-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]pyrazol-1-yl]propanoate

Systemtic Name: (2S)-2-[4-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]pyrazol-1-yl]propanoate Openeye Name: (2S)-2-[4-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]pyrazol-1-yl]propanoate CAS Name: (2S)-2-[4-[[[(1R,2S)-2-methylcyclohexyl]amino]-oxomethyl]-1-pyrazolyl]propanoate IUPAC Name: (2S)-2-[4-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]pyrazol-1-yl]propanoate Traditional Name: (2S)-2-[4-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]pyrazol-1-yl]propionate Formula: C14H20N3O3- MolecularWeight: 278.3269

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2=CN(N=C2)C(C)C(=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)C2=CN(N=C2)[C@@H](C)C(=O)[O-]

InChI

InChI=1S/C14H21N3O3/c1-9-5-3-4-6-12(9)16-13(18)11-7-15-17(8-11)10(2)14(19)20/h7-10,12H,3-6H2,1-2H3,(H,16,18)(H,19,20)/p-1/t9-,10-,12+/m0/s1