4-[(2,3-Dihydro-3-Oxo-1H-Indazol-6-Yl)Amino]-3-[(2-Methylpropionyl)Octadecylamino]-4-Oxobutyric Acid
[CAS# 83929-67-3]

Identification

• Name: 4-[(2,3-Dihydro-3-Oxo-1H-Indazol-6-Yl)Amino]-3-[(2-Methylpropionyl)Octadecylamino]-4-Oxobutyric Acid
• Synonyms: 3-[1-(2-Methylpropanoyl)Octadecylamino]-4-Oxo-4-[(3-Oxo-1,2-Dihydroindazol-6-Yl)Amino]Butanoic Acid; 3-[1-(2-Methyl-1-Oxopropyl)Octadecylamino]-4-Oxo-4-[(3-Oxo-1,2-Dihydroindazol-6-Yl)Amino]Butanoic Acid; 3-(1-Isobutyryloctadecylamino)-4-Keto-4-[(3-Ketoindazolin-6-Yl)Amino]Butyric Acid
• Molecular Formula: C₃₃H₅₄N₄O₅
• Molecular Weight: 586.81
• CAS Registry Number: 83929-67-3
• EINECS: 281-360-8
• SMILES: C1=C(NC(=O)C(NC(C(=O)C(C)C)CCCCCCCCCCCCCCCCC)CC(=O)O)C=CC2=C1NNC2=O
• InChI: 1S/C33H54N4O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(31(40)24(2)3)35-29(23-30(38)39)33(42)34-25-20-21-26-28(22-25)36-37-32(26)41/h20-22,24,27,29,35H,4-19,23H2,1-3H3,(H,34,42)(H,38,39)(H2,36,37,41)
• InChIKey: LBEOFMKNXBMXNO-UHFFFAOYSA-N

Properties

• Density: 1.091g/cm³ (Cal.)
• Boiling point: 717.181°C at 760 mmHg (Cal.)
• Flash point: 387.537°C (Cal.)