Cyclo(Pro-Leu)

CAS	5654-86-4
Structure
Description	Cyclo(Pro-Leu) is a marine-derived natural product with brine shrimp lethality.
Synonyms	3-Isobutylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione
IUPAC Name	3-(2-Methylpropyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Molecular Weight	210.27
Canonical SMILES	CC(C)CC1C(=O)N2CCCC2C(=O)N1
InChI	InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)
InChI Key	SZJNCZMRZAUNQT-UHFFFAOYSA-N
Boiling Point	427.6±34.0 °C (lit.)
Melting Point	163-165 °C (lit.)
Purity	95%+
Density	1.14±0.1 g/cm³
Complexity	288
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	210.136827821
Heavy Atom Count	15
Monoisotopic Mass	210.136827821
Physical State	Powder
Storage Conditions	Powder: -20°C for 3 years In solvent: -80°C for 2 years
Topological Polar Surface Area	49.4 Ų