Alanylalanyl-N-(4-Methyl-2-Oxo-2H-Chromen-7-Yl)Phenylalaninamide
[CAS# 62037-41-6]

Identification

• Name: Alanylalanyl-N-(4-Methyl-2-Oxo-2H-Chromen-7-Yl)Phenylalaninamide
• Synonyms: Ala-Ala-Phe-7-amido-4-methylcoumarin; L-Alanyl-L-alanyl-L-phenylalanine 7-amido-4-methylcoumarin; A3401_SIGMA
• Molecular Formula: C₂₅H₂₈N₄O₅
• Molecular Weight: 464.51
• CAS Registry Number: 62037-41-6
• SMILES: O=C(NC(C(=O)NC(C(=O)Nc2ccc\1c(OC(=O)/C=C/1C)c2)Cc3ccccc3)C)C(N)C
• InChI: 1S/C25H28N4O5/c1-14-11-22(30)34-21-13-18(9-10-19(14)21)28-25(33)20(12-17-7-5-4-6-8-17)29-24(32)16(3)27-23(31)15(2)26/h4-11,13,15-16,20H,12,26H2,1-3H3,(H,27,31)(H,28,33)(H,29,32)
• InChIKey: FVRLYIFIDKXFHU-UHFFFAOYSA-N

Properties

• Density: 1.286g/cm³ (Cal.)
• Boiling point: 831.036°C at 760 mmHg (Cal.)
• Flash point: 456.394°C (Cal.)