Prezatide copper

Catalog Number	ACM89030955-1
CAS	89030-95-5
Structure
Synonyms	Copper tripeptide-1
Molecular Weight	402.92
Molecular Formula	C14H23CuN6O4
Canonical SMILES	C1=C(NC=N1)CC(C(=O)NC(CCCCN)C(=O)[O-])NC(=O)CN.[Cu+2]
InChI	InChI=1S/C14H24N6O4.Cu/c15-4-2-1-3-10(14(23)24)20-13(22)11(19-12(21)6-16)5-9-7-17-8-18-9;/h7-8,10-11H,1-6,15-16H2,(H,17,18)(H,19,21)(H,20,22)(H,23,24);/q;+2/p-1/t10-,11-;/m0./s1
InChI Key	NZWIFMYRRCMYMN-ACMTZBLWSA-M
Purity	98%+
Exact Mass	402.107675
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	5
Isomeric SMILES	C1=C(NC=N1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)[O-])NC(=O)CN.[Cu+2]
Monoisotopic Mass	402.107675
Rotatable Bond Count	10
Topological Polar Surface Area	179 Ų