N-[(5-Chloro-3,4-Dihydro-8-Hydroxy-3-Methyl-1-Oxo-1H-2-Benzopyran-7-Yl)Carbonyl]-L-Phenylalanine Methyl Ester
[CAS# 16281-44-0]

Identification

• Name: N-[(5-Chloro-3,4-Dihydro-8-Hydroxy-3-Methyl-1-Oxo-1H-2-Benzopyran-7-Yl)Carbonyl]-L-Phenylalanine Methyl Ester
• Synonyms: Methyl (2S)-2-[[(3R)-5-Chloro-8-Hydroxy-3-Methyl-1-Oxo-Isochroman-7-Carbonyl]Amino]-3-Phenyl-Propanoate; (2S)-2-[[[(3R)-5-Chloro-8-Hydroxy-3-Methyl-1-Oxo-7-Isochromanyl]-Oxomethyl]Amino]-3-Phenylpropanoic Acid Methyl Ester; (2S)-2-[[(3R)-5-Chloro-8-Hydroxy-1-Keto-3-Methyl-Isochroman-7-Carbonyl]Amino]-3-Phenyl-Propionic Acid Methyl Ester
• Molecular Formula: C₂₁H₂₀ClNO₆
• Molecular Weight: 417.85
• CAS Registry Number: 16281-44-0
• SMILES: [C@H](C(=O)OC)(NC(=O)C2=CC(=C1C[C@H](OC(C1=C2O)=O)C)Cl)CC3=CC=CC=C3
• InChI: 1S/C21H20ClNO6/c1-11-8-13-15(22)10-14(18(24)17(13)21(27)29-11)19(25)23-16(20(26)28-2)9-12-6-4-3-5-7-12/h3-7,10-11,16,24H,8-9H2,1-2H3,(H,23,25)/t11-,16+/m1/s1
• InChIKey: IHPSAIGCKPYNDR-BZNIZROVSA-N

Properties

• Density: 1.354g/cm³ (Cal.)
• Boiling point: 605.29°C at 760 mmHg (Cal.)
• Flash point: 319.868°C (Cal.)