(3S)-3-(2-Amino-4-Oxo-1,5-Dihydropyrrolo[5,4-e]Pyrimidin-7-Yl)-3-(3-Chlorophenyl)Propanoic Acid
[CAS# 139367-68-3]

Identification

• Name: (3S)-3-(2-Amino-4-Oxo-1,5-Dihydropyrrolo[5,4-e]Pyrimidin-7-Yl)-3-(3-Chlorophenyl)Propanoic Acid
• Synonyms: (3S)-3-(2-Amino-4-Keto-1,5-Dihydropyrrolo[5,4-E]Pyrimidin-7-Yl)-3-(3-Chlorophenyl)Propionic Acid; 3-(2-Amino-4-Oxo-3H,5H-Pyrrolo(3,2-D)Pyrimidin-7-Yl)-3-(3-Chlorophenyl)Propanoic Acid; 3-Aopp-3-Clphpa
• Molecular Formula: C₁₅H₁₃ClN₄O₃
• Molecular Weight: 332.75
• CAS Registry Number: 139367-68-3
• SMILES: [C@@H](C1=C[NH]C2=C1NC(=NC2=O)N)(C3=CC(=CC=C3)Cl)CC(=O)O
• InChI: 1S/C15H13ClN4O3/c16-8-3-1-2-7(4-8)9(5-11(21)22)10-6-18-13-12(10)19-15(17)20-14(13)23/h1-4,6,9,18H,5H2,(H,21,22)(H3,17,19,20,23)/t9-/m0/s1
• InChIKey: YDWZQOZLILLLMU-VIFPVBQESA-N

Properties

• Density: 1.659g/cm³ (Cal.)
• Boiling point: 605.978°C at 760 mmHg (Cal.)
• Flash point: 320.284°C (Cal.)