N-[(5-Chloro-3,4-Dihydro-3-Methyl-1-Oxo-1H-2-Benzopyran-7-Yl)Carbonyl]-L-Methionine
[CAS# 64398-33-0]

Identification

• Name: N-[(5-Chloro-3,4-Dihydro-3-Methyl-1-Oxo-1H-2-Benzopyran-7-Yl)Carbonyl]-L-Methionine
• Synonyms: (2S)-2-[(5-Chloro-3-Methyl-1-Oxo-Isochroman-7-Carbonyl)Amino]-4-Methylsulfanyl-Butanoic Acid; (2S)-2-[[(5-Chloro-3-Methyl-1-Oxo-7-Isochromanyl)-Oxomethyl]Amino]-4-(Methylthio)Butanoic Acid; (2S)-2-[(5-Chloro-1-Keto-3-Methyl-Isochroman-7-Carbonyl)Amino]-4-(Methylthio)Butyric Acid
• Molecular Formula: C₁₆H₁₈ClNO₅S
• Molecular Weight: 371.83
• CAS Registry Number: 64398-33-0
• SMILES: [C@@H](NC(=O)C1=CC(=C2C(=C1)C(OC(C2)C)=O)Cl)(C(=O)O)CCSC
• InChI: 1S/C16H18ClNO5S/c1-8-5-10-11(16(22)23-8)6-9(7-12(10)17)14(19)18-13(15(20)21)3-4-24-2/h6-8,13H,3-5H2,1-2H3,(H,18,19)(H,20,21)/t8?,13-/m0/s1
• InChIKey: XCQZRAGWRWIYBH-RLROJCQXSA-N

Properties

• Density: 1.372g/cm³ (Cal.)
• Boiling point: 610.977°C at 760 mmHg (Cal.)
• Flash point: 323.307°C (Cal.)