4-[(3,4-Dichlorobenzoyl)Amino]-5-(3-Methoxypropyl-(3-Methylbutyl)Amino)-5-Oxopentanoic Acid
[CAS# 111106-28-6]

Identification

• Name: 4-[(3,4-Dichlorobenzoyl)Amino]-5-(3-Methoxypropyl-(3-Methylbutyl)Amino)-5-Oxopentanoic Acid
• Synonyms: 4-[(3,4-Dichlorobenzoyl)Amino]-5-(Isopentyl-(3-Methoxypropyl)Amino)-5-Oxo-Pentanoic Acid; 4-[[(3,4-Dichlorophenyl)-Oxomethyl]Amino]-5-(Isopentyl-(3-Methoxypropyl)Amino)-5-Oxopentanoic Acid; 4-[(3,4-Dichlorobenzoyl)Amino]-5-(Isoamyl-(3-Methoxypropyl)Amino)-5-Keto-Valeric Acid
• Molecular Formula: C₂₁H₃₀Cl₂N₂O₅
• Molecular Weight: 461.38
• CAS Registry Number: 111106-28-6
• SMILES: C1=C(C(=CC=C1C(NC(CCC(=O)O)C(=O)N(CCC(C)C)CCCOC)=O)Cl)Cl
• InChI: 1S/C21H30Cl2N2O5/c1-14(2)9-11-25(10-4-12-30-3)21(29)18(7-8-19(26)27)24-20(28)15-5-6-16(22)17(23)13-15/h5-6,13-14,18H,4,7-12H2,1-3H3,(H,24,28)(H,26,27)
• InChIKey: GVNDEBPOTTUDBX-UHFFFAOYSA-N

Properties

• Density: 1.232g/cm³ (Cal.)
• Boiling point: 627.258°C at 760 mmHg (Cal.)
• Flash point: 333.154°C (Cal.)