4-[(3,4-Dimethylbenzoyl)Amino]-5-(3-Methoxypropyl-Pentylamino)-5-Oxopentanoic Acid
[CAS# 111106-16-2]

Identification

• Name: 4-[(3,4-Dimethylbenzoyl)Amino]-5-(3-Methoxypropyl-Pentylamino)-5-Oxopentanoic Acid
• Synonyms: 4-[(3,4-Dimethylbenzoyl)Amino]-5-(3-Methoxypropyl-Pentyl-Amino)-5-Oxo-Pentanoic Acid; 4-[[(3,4-Dimethylphenyl)-Oxomethyl]Amino]-5-(3-Methoxypropyl-Pentylamino)-5-Oxopentanoic Acid; 5-(Amyl-(3-Methoxypropyl)Amino)-4-[(3,4-Dimethylbenzoyl)Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₂₃H₃₆N₂O₅
• Molecular Weight: 420.55
• CAS Registry Number: 111106-16-2
• SMILES: C1=C(C(=CC=C1C(NC(CCC(=O)O)C(=O)N(CCCCC)CCCOC)=O)C)C
• InChI: 1S/C23H36N2O5/c1-5-6-7-13-25(14-8-15-30-4)23(29)20(11-12-21(26)27)24-22(28)19-10-9-17(2)18(3)16-19/h9-10,16,20H,5-8,11-15H2,1-4H3,(H,24,28)(H,26,27)
• InChIKey: CGRMWLDGQYLHRN-UHFFFAOYSA-N

Properties

• Density: 1.099g/cm³ (Cal.)
• Boiling point: 614.159°C at 760 mmHg (Cal.)
• Flash point: 325.232°C (Cal.)