Ethyl 4-[[(2S)-2-(2,2-Dimethylpropanoylamino)-4-Methylpentanoyl]Amino]Benzoate
[CAS# 59973-57-8]

Identification

• Name: Ethyl 4-[[(2S)-2-(2,2-Dimethylpropanoylamino)-4-Methylpentanoyl]Amino]Benzoate
• Synonyms: Ethyl 4-[[(2S)-2-(2,2-Dimethylpropanoylamino)-4-Methyl-Pentanoyl]Amino]Benzoate; 4-[[(2S)-2-[(2,2-Dimethyl-1-Oxopropyl)Amino]-4-Methyl-1-Oxopentyl]Amino]Benzoic Acid Ethyl Ester; 4-[[(2S)-4-Methyl-2-(Pivaloylamino)Pentanoyl]Amino]Benzoic Acid Ethyl Ester
• Molecular Formula: C₂₀H₃₀N₂O₄
• Molecular Weight: 362.47
• CAS Registry Number: 59973-57-8
• SMILES: [C@H](C(NC1=CC=C(C(=O)OCC)C=C1)=O)(NC(C(C)(C)C)=O)CC(C)C
• InChI: 1S/C20H30N2O4/c1-7-26-18(24)14-8-10-15(11-9-14)21-17(23)16(12-13(2)3)22-19(25)20(4,5)6/h8-11,13,16H,7,12H2,1-6H3,(H,21,23)(H,22,25)/t16-/m0/s1
• InChIKey: LWXCLCMHZUONBK-INIZCTEOSA-N

Properties

• Density: 1.091g/cm³ (Cal.)
• Boiling point: 570.623°C at 760 mmHg (Cal.)
• Flash point: 298.902°C (Cal.)