[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate Openeye Name: [(1S)-2-amino-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 [(2S)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-amino-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 [(1S)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4/c1-11(16(17)22)23-15(21)8-7-14(20)19-10-9-13(18-19)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,17,22)/t11-/m0/s1