[(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate

Systemtic Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate Openeye Name: [(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate CAS Name: 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoic acid [(2R)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate Traditional Name: 4-keto-4-(3-phenyl-2-pyrazolin-1-yl)butyric acid [(1R)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)CCC(=O)N1CCC(=N1)C2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC(C)(C)C)OC(=O)CCC(=O)N1CCC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C21H28N4O5/c1-14(19(28)22-20(29)23-21(2,3)4)30-18(27)11-10-17(26)25-13-12-16(24-25)15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3,(H2,22,23,28,29)/t14-/m1/s1