[N-[Phenyl[2-[[[(1S,2R)-1-(phenylmethyl)-2-pyrrolidinyl-κN]carbonyl]amino-κN]phenyl]methylene]glycinato(2-)-κN,κO]nickel

Catalog Number	ACM172924515
CAS	172924-51-5
Synonyms	(R)-2-{o-{(N-Benzylprolyl)amino}phenyl}-benzylideneamino-acetato(2-)-N,N',N''-nickel(II)
Molecular Weight	498.2
Molecular Formula	C27H25N3NiO3
Canonical SMILES	C1CC(N(C1)CC2=CC=CC=C2)C(=NC3=CC=CC=C3C(=NCC(=O)[O-])C4=CC=CC=C4)[O-].[Ni]
InChI	InChI=1S/C27H27N3O3.Ni/c31-25(32)18-28-26(21-12-5-2-6-13-21)22-14-7-8-15-23(22)29-27(33)24-16-9-17-30(24)19-20-10-3-1-4-11-20;/h1-8,10-15,24H,9,16-19H2,(H,29,33)(H,31,32);/p-2/t24-;/m1./s1
InChI Key	WXBHDXFJQMXVSI-GJFSDDNBSA-L
Melting Point	219-221 °C
Purity	98%
Complexity	689
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Exact Mass	497.124933
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isomeric SMILES	C1C[C@@H](N(C1)CC2=CC=CC=C2)C(=NC3=CC=CC=C3C(=NCC(=O)[O-])C4=CC=CC=C4)[O-].[Ni]
Monoisotopic Mass	497.124933
Rotatable Bond Count	7
Topological Polar Surface Area	91.2 Ų