Tetrakis[N-phthaloyl-(S)-phenylalaninato]dirhodium ethyl acetate adduct

Catalog Number	ACM131219551-2
CAS	131219-55-1
Structure
Synonyms	(2S)-2-(1,3-Dioxoisoindol-2-yl)-3-phenylpropanoate;ethyl acetate;rhodium(2+)
IUPAC Name	(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate;ethyl acetate;rhodium(2+);
Molecular Weight	1471
Molecular Formula	C72H56N4O18Rh2
Canonical SMILES	CCOC(=O)C.C1=CC=C(C=C1)CC(C(=O)[O-])N2C(=O)C3=CC=CC=C3C2=O.C1=CC=C(C=C1)CC(C(=O)[O-])N2C(=O)C3=CC=CC=C3C2=O.C1=CC=C(C=C1)CC(C(=O)[O-])N2C(=O)C3=CC=CC=C3C2=O.C1=CC=C(C=C1)CC(C(=O)[O-])N2C(=O)C3=CC=CC=C3C2=O.[Rh+2].[Rh+2]
InChI	InChI=1S/4C17H13NO4.C4H8O2.2Rh/c4*19-15-12-8-4-5-9-13(12)16(20)18(15)14(17(21)22)10-11-6-2-1-3-7-11;1-3-6-4(2)5;/h4*1-9,14H,10H2,(H,21,22);3H2,1-2H3;/q;2*+2/p-4/t4*14-;/m0/s1
InChI Key	HPPXXODRLNJMGM-JBSHYJOISA-J
Complexity	489
Covalently-Bonded Unit Count	7
Defined Atom Stereocenter Count	4
Exact Mass	1470.16995
Heavy Atom Count	96
Hydrogen Bond Acceptor Count	18
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCOC(=O)C.C1=CC=C(C=C1)C[C@@H](C(=O)[O-])N2C(=O)C3=CC=CC=C3C2=O.C1=CC=C(C=C1)C[C@@H](C(=O)[O-])N2C(=O)C3=CC=CC=C3C2=O.C1=CC=C(C=C1)C[C@@H](C(=O)[O-])N2C(=O)C3=CC=CC=C3C2=O.C1=CC=C(C=C1)C[C@@H](C(=O)[O-])N2C(=O)C3=CC=CC=C3C2=O.[Rh+2].[Rh+2]
Monoisotopic Mass	1470.16995
Rotatable Bond Count	14
Topological Polar Surface Area	336 Ų