N-(3-Carboxypropanoyl)Isoleucyl-N-(4-Methyl-2-Oxo-2H-Chromen-7-Yl)Alaninamide
[CAS# 126103-95-5]

Identification

• Name: N-(3-Carboxypropanoyl)Isoleucyl-N-(4-Methyl-2-Oxo-2H-Chromen-7-Yl)Alaninamide
• Synonyms: N-Succinyl-Ile-Ala-7-amido-4-methylcoumarin; S6407_SIGMA
• Molecular Formula: C₂₃H₂₉N₃O₇
• Molecular Weight: 459.49
• CAS Registry Number: 126103-95-5
• SMILES: O=C(O)CCC(=O)NC(C(=O)NC(C(=O)Nc2ccc\1c(OC(=O)/C=C/1C)c2)C)C(C)CC
• InChI: 1S/C23H29N3O7/c1-5-12(2)21(26-18(27)8-9-19(28)29)23(32)24-14(4)22(31)25-15-6-7-16-13(3)10-20(30)33-17(16)11-15/h6-7,10-12,14,21H,5,8-9H2,1-4H3,(H,24,32)(H,25,31)(H,26,27)(H,28,29)
• InChIKey: JHJBNOSZSJDELK-UHFFFAOYSA-N

Properties

• Density: 1.286g/cm³ (Cal.)
• Boiling point: 827.354°C at 760 mmHg (Cal.)
• Flash point: 454.167°C (Cal.)
• Refractive index: 1.577 (Cal.)