(3S,8aS)-2-Methyl-3-(Phenylmethyl)-6,7,8,8a-Tetrahydro-3H-Pyrrolo[2,1-c]Pyrazine-1,4-Dione
[CAS# 37553-66-5]

Identification

• Name: (3S,8aS)-2-Methyl-3-(Phenylmethyl)-6,7,8,8a-Tetrahydro-3H-Pyrrolo[2,1-c]Pyrazine-1,4-Dione
• Synonyms: (3S,8As)-3-(Benzyl)-2-Methyl-6,7,8,8A-Tetrahydro-3H-Pyrrolo[2,1-F]Pyrazine-1,4-Quinone; Cyclo(L-Pro-L-(N-Me)Phe); Cyclo(L-Prolyl-L-N-Methylphenylalanyl)
• Molecular Formula: C₁₅H₁₈N₂O₂
• Molecular Weight: 258.32
• CAS Registry Number: 37553-66-5
• SMILES: [C@H]12C(N([C@H](C(N1CCC2)=O)CC3=CC=CC=C3)C)=O
• InChI: 1S/C15H18N2O2/c1-16-13(10-11-6-3-2-4-7-11)15(19)17-9-5-8-12(17)14(16)18/h2-4,6-7,12-13H,5,8-10H2,1H3/t12-,13-/m0/s1
• InChIKey: VESAPQFPVCNWRR-STQMWFEESA-N

Properties

• Density: 1.239g/cm³ (Cal.)
• Boiling point: 473.686°C at 760 mmHg (Cal.)
• Flash point: 225.263°C (Cal.)