[2-[N-[(2S,3S)-2-methyl-1-oxidanyl-1-oxidanylidene-3-phenyl-butan-2-yl]-C-phenyl-carbonimidoyl]phenyl]-[(2S)-1-(phenylmethyl)pyrrolidin-2-yl]carbonyl-azanide; nickel

Systemtic Name: [2-[N-[(2S,3S)-2-methyl-1-oxidanyl-1-oxidanylidene-3-phenyl-butan-2-yl]-C-phenyl-carbonimidoyl]phenyl]-[(2S)-1-(phenylmethyl)pyrrolidin-2-yl]carbonyl-azanide; nickel Openeye Name: [(2S)-1-benzylpyrrolidine-2-carbonyl]-[2-[N-[(1S,2S)-1-carboxy-1-methyl-2-phenyl-propyl]-C-phenyl-carbonimidoyl]phenyl]azanide; nickel CAS Name: [2-[[(2S,3S)-1-hydroxy-2-methyl-1-oxo-3-phenylbutan-2-yl]imino-phenylmethyl]phenyl]-[oxo-[(2S)-1-(phenylmethyl)-2-pyrrolidinyl]methyl]azanide; nickel IUPAC Name: [(2S)-1-benzylpyrrolidine-2-carbonyl]-[2-[N-[(2S,3S)-1-hydroxy-2-methyl-1-oxo-3-phenylbutan-2-yl]-C-phenylcarbonimidoyl]phenyl]azanide; nickel Traditional Name: [(2S)-1-benzylprolyl]-[2-[N-[(1S,2S)-1-carboxy-1-methyl-2-phenyl-propyl]-C-phenyl-carbonimidoyl]phenyl]azanide; nickel Formula: C36H36N3NiO3- MolecularWeight: 617.38274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(C)(C(=O)O)N=C(C2=CC=CC=C2)C3=CC=CC=C3[N-]C(=O)C4CCCN4CC5=CC=CC=C5.[Ni]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)[C@@](C)(C(=O)O)N=C(C2=CC=CC=C2)C3=CC=CC=C3[N-]C(=O)[C@@H]4CCCN4CC5=CC=CC=C5.[Ni]

InChI

InChI=1S/C36H37N3O3.Ni/c1-26(28-17-8-4-9-18-28)36(2,35(41)42)38-33(29-19-10-5-11-20-29)30-21-12-13-22-31(30)37-34(40)32-23-14-24-39(32)25-27-15-6-3-7-16-27;/h3-13,15-22,26,32H,14,23-25H2,1-2H3,(H2,37,38,40,41,42);/p-1/t26-,32-,36-;/m0./s1