1-[(2S)-1-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[(2S)-1-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid Openeye Name: 1-[(1S)-1-methyl-2-[[(1R)-1-methyl-2-morpholino-ethyl]amino]-2-oxo-ethyl]pyrazole-3-carboxylic acid CAS Name: 1-[(2S)-1-[[(2R)-1-(4-morpholinyl)propan-2-yl]amino]-1-oxopropan-2-yl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[(2S)-1-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid Traditional Name: 1-[(1S)-2-keto-1-methyl-2-[[(1R)-1-methyl-2-morpholino-ethyl]amino]ethyl]pyrazole-3-carboxylic acid Formula: C14H22N4O4 MolecularWeight: 310.34888

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCOCC1)NC(=O)C(C)N2C=CC(=N2)C(=O)O

Isomeric SMILES

C[C@H](CN1CCOCC1)NC(=O)[C@H](C)N2C=CC(=N2)C(=O)O

InChI

InChI=1S/C14H22N4O4/c1-10(9-17-5-7-22-8-6-17)15-13(19)11(2)18-4-3-12(16-18)14(20)21/h3-4,10-11H,5-9H2,1-2H3,(H,15,19)(H,20,21)/t10-,11+/m1/s1