[2-[N-[(1R,2S)-1-(3-fluoranyl-4-methoxy-phenyl)-1,3-bis(oxidanyl)-3-oxidanylidene-propan-2-yl]-C-phenyl-carbonimidoyl]phenyl]-[(2S)-1-(phenylmethyl)pyrrolidin-2-yl]carbonyl-azanide; nickel

Systemtic Name: [2-[N-[(1R,2S)-1-(3-fluoranyl-4-methoxy-phenyl)-1,3-bis(oxidanyl)-3-oxidanylidene-propan-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,2R)-1-carboxy-2-(3-fluoro-4-methoxy-phenyl)-2-hydroxy-ethyl]-C-phenyl-carbonimidoyl]phenyl]azanide; nickel CAS Name: [2-[[(1R,2S)-1-(3-fluoro-4-methoxyphenyl)-1,3-dihydroxy-3-oxopropan-2-yl]imino-phenylmethyl]phenyl]-[oxo-[(2S)-1-(phenylmethyl)-2-pyrrolidinyl]methyl]azanide; nickel IUPAC Name: [(2S)-1-benzylpyrrolidine-2-carbonyl]-[2-[N-[(1R,2S)-1-(3-fluoro-4-methoxyphenyl)-1,3-dihydroxy-3-oxopropan-2-yl]-C-phenylcarbonimidoyl]phenyl]azanide; nickel Traditional Name: [(2S)-1-benzylprolyl]-[2-[N-[(1S,2R)-1-carboxy-2-(3-fluoro-4-methoxy-phenyl)-2-hydroxy-ethyl]-C-phenyl-carbonimidoyl]phenyl]azanide; nickel Formula: C35H33FN3NiO5- MolecularWeight: 653.345423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(C(=O)O)N=C(C2=CC=CC=C2)C3=CC=CC=C3[N-]C(=O)C4CCCN4CC5=CC=CC=C5)O)F.[Ni]

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]([C@@H](C(=O)O)N=C(C2=CC=CC=C2)C3=CC=CC=C3[N-]C(=O)[C@@H]4CCCN4CC5=CC=CC=C5)O)F.[Ni]

InChI

InChI=1S/C35H34FN3O5.Ni/c1-44-30-19-18-25(21-27(30)36)33(40)32(35(42)43)38-31(24-13-6-3-7-14-24)26-15-8-9-16-28(26)37-34(41)29-17-10-20-39(29)22-23-11-4-2-5-12-23;/h2-9,11-16,18-19,21,29,32-33,40H,10,17,20,22H2,1H3,(H2,37,38,41,42,43);/p-1/t29-,32-,33+;/m0./s1