[2-[N-(carboxymethyl)-C-phenyl-carbonimidoyl]-5-methyl-phenyl]-[(2S)-1-(phenylmethyl)pyrrolidin-2-yl]carbonyl-azanide; nickel

Systemtic Name: [2-[N-(carboxymethyl)-C-phenyl-carbonimidoyl]-5-methyl-phenyl]-[(2S)-1-(phenylmethyl)pyrrolidin-2-yl]carbonyl-azanide; nickel Openeye Name: [(2S)-1-benzylpyrrolidine-2-carbonyl]-[2-[N-(carboxymethyl)-C-phenyl-carbonimidoyl]-5-methyl-phenyl]azanide; nickel CAS Name: [2-[carboxymethylimino(phenyl)methyl]-5-methylphenyl]-[oxo-[(2S)-1-(phenylmethyl)-2-pyrrolidinyl]methyl]azanide; nickel IUPAC Name: [(2S)-1-benzylpyrrolidine-2-carbonyl]-[2-[N-(carboxymethyl)-C-phenylcarbonimidoyl]-5-methylphenyl]azanide; nickel Traditional Name: [(2S)-1-benzylprolyl]-[2-[N-(carboxymethyl)-C-phenyl-carbonimidoyl]-5-methyl-phenyl]azanide; nickel Formula: C28H28N3NiO3- MolecularWeight: 513.23362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=NCC(=O)O)C2=CC=CC=C2)[N-]C(=O)C3CCCN3CC4=CC=CC=C4.[Ni]

Isomeric SMILES

CC1=CC(=C(C=C1)C(=NCC(=O)O)C2=CC=CC=C2)[N-]C(=O)[C@@H]3CCCN3CC4=CC=CC=C4.[Ni]

InChI

InChI=1S/C28H29N3O3.Ni/c1-20-14-15-23(27(29-18-26(32)33)22-11-6-3-7-12-22)24(17-20)30-28(34)25-13-8-16-31(25)19-21-9-4-2-5-10-21;/h2-7,9-12,14-15,17,25H,8,13,16,18-19H2,1H3,(H2,29,30,32,33,34);/p-1/t25-;/m0./s1