1-[(2S)-1-oxidanylidene-1-(3-propan-2-yloxypropylamino)propan-2-yl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[(2S)-1-oxidanylidene-1-(3-propan-2-yloxypropylamino)propan-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[(1S)-2-(3-isopropoxypropylamino)-1-methyl-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[(2S)-1-oxo-1-(3-propan-2-yloxypropylamino)propan-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(2S)-1-oxo-1-(3-propan-2-yloxypropylamino)propan-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[(1S)-2-(3-isopropoxypropylamino)-2-keto-1-methyl-ethyl]pyrazole-4-carboxylic acid Formula: C13H21N3O4 MolecularWeight: 283.32354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)C(C)N1C=C(C=N1)C(=O)O

Isomeric SMILES

C[C@@H](C(=O)NCCCOC(C)C)N1C=C(C=N1)C(=O)O

InChI

InChI=1S/C13H21N3O4/c1-9(2)20-6-4-5-14-12(17)10(3)16-8-11(7-15-16)13(18)19/h7-10H,4-6H2,1-3H3,(H,14,17)(H,18,19)/t10-/m0/s1