Prezatide copper acetate

Catalog Number	ACM130120579-2
CAS	130120-57-9
Synonyms	Lamin; PC 1020 acetate
IUPAC Name	copper; acetic acid; 6-amino-2-[[2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoate; 6-amino-2-[[2-[(2-amino-1-oxidoethylidene)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoate; hydron
Molecular Weight	862.4
Molecular Formula	C32H54CuN12O12
Canonical SMILES	CC(=O)O.CC(=O)O.C1=C(NC=N1)CC(C(=O)NC(CCCCN)C(=O)[O-])NC(=O)CN.C1=C(NC=N1)CC(C(=O)NC(CCCCN)C(=O)[O-])NC(=O)CN.[Cu+2]
InChI	InChI=1S/2C14H24N6O4.2C2H4O2.Cu/c2*15-4-2-1-3-10(14(23)24)20-13(22)11(19-12(21)6-16)5-9-7-17-8-18-9;2*1-2(3)4;/h2*7-8,10-11H,1-6,15-16H2,(H,17,18)(H,19,21)(H,20,22)(H,23,24);2*1H3,(H,3,4);/q;+2/p-2
InChI Key	LUNQZVCDZKODKF-UHFFFAOYSA-L
Boiling Point	831ºC at 760mmHg
Flash Point	456.4ºC
Purity	99%
Density	g/cm³
Complexity	459
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
Exact Mass	861.328012
Heavy Atom Count	57
Hydrogen Bond Acceptor Count	18
Hydrogen Bond Donor Count	12
Monoisotopic Mass	861.328012
Rotatable Bond Count	20
Topological Polar Surface Area	433 Ų