(SP-4-4)-[N-[[5-Chloro-2-[[[(1S,2R)-1-(phenylmethyl)-2-pyrrolidinyl-κN]carbonyl]amino-κN]phenyl]phenylmethylene]glycinato(2-)-κN,κO]-nickel

Catalog Number	ACM1021603699
CAS	1021603-69-9
Synonyms	2-[[[2-[(2R)-1-Benzylpyrrolidine-2-carbonyl]azanidyl-5-chlorophenyl]-phenylmethylidene]amino]acetate;nickel(3+)
Molecular Weight	532.64
Molecular Formula	C27H24ClN3NiO3
Canonical SMILES	C1CC(N(C1)CC2=CC=CC=C2)C(=O)[N-]C3=C(C=C(C=C3)Cl)C(=NCC(=O)[O-])C4=CC=CC=C4.[Ni+3]
InChI	InChI=1S/C27H26ClN3O3.Ni/c28-21-13-14-23(22(16-21)26(29-17-25(32)33)20-10-5-2-6-11-20)30-27(34)24-12-7-15-31(24)18-19-8-3-1-4-9-19;/h1-6,8-11,13-14,16,24H,7,12,15,17-18H2,(H2,29,30,32,33,34);/q;+3/p-2/t24-;/m1./s1
InChI Key	WIWAPGLZOMJJLI-GJFSDDNBSA-L
Purity	98%
Complexity	725
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Exact Mass	531.085961
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isomeric SMILES	C1C[C@@H](N(C1)CC2=CC=CC=C2)C(=O)[N-]C3=C(C=C(C=C3)Cl)C(=NCC(=O)[O-])C4=CC=CC=C4.[Ni+3]
Monoisotopic Mass	531.085961
Rotatable Bond Count	3
Topological Polar Surface Area	73.8 Ų