N-((5-Chloro-3,4-Dihydro-3-Methyl-1-Oxo-1H-2-Benzopyran-7-Yl )Carbonyl)-L-Valine
[CAS# 64398-35-2]

Identification

• Name: N-((5-Chloro-3,4-Dihydro-3-Methyl-1-Oxo-1H-2-Benzopyran-7-Yl )Carbonyl)-L-Valine
• Synonyms: (2S)-2-[(5-Chloro-3-Methyl-1-Oxo-Isochroman-7-Carbonyl)Amino]-3-Methyl-Butanoic Acid; (2S)-2-[[(5-Chloro-3-Methyl-1-Oxo-7-Isochromanyl)-Oxomethyl]Amino]-3-Methylbutanoic Acid; (2S)-2-[(5-Chloro-1-Keto-3-Methyl-Isochroman-7-Carbonyl)Amino]-3-Methyl-Butyric Acid
• Molecular Formula: C₁₆H₁₈ClNO₅
• Molecular Weight: 339.77
• CAS Registry Number: 64398-35-2
• SMILES: [C@@H](NC(=O)C1=CC(=C2C(=C1)C(OC(C2)C)=O)Cl)(C(=O)O)C(C)C
• InChI: 1S/C16H18ClNO5/c1-7(2)13(15(20)21)18-14(19)9-5-11-10(12(17)6-9)4-8(3)23-16(11)22/h5-8,13H,4H2,1-3H3,(H,18,19)(H,20,21)/t8?,13-/m0/s1
• InChIKey: JUTZDHZSGLVCIZ-RLROJCQXSA-N

Properties

• Density: 1.32g/cm³ (Cal.)
• Boiling point: 545.161°C at 760 mmHg (Cal.)
• Flash point: 283.503°C (Cal.)