(2S)-2-(2-methylpropanoyl-octadecyl-amino)-4-oxo-4-[(3-oxo-1,2-dihydroindazol-6-yl)amino]butanoic acid
[CAS# 94405-95-5]

Identification

• Name: (2S)-2-(2-methylpropanoyl-octadecyl-amino)-4-oxo-4-[(3-oxo-1,2-dihydroindazol-6-yl)amino]butanoic acid
• Synonyms: N-(2,3-dihydro-3-oxo-1H-indazol-6-yl)-N2-(2-methylpropionyl)-N2-octadecyl-DL-asparagine
• Molecular Formula: C₃₃H₅₄N₄O₅
• Molecular Weight: 586.81
• CAS Registry Number: 94405-95-5
• EINECS: 305-291-0
• SMILES: CC(C)C(=O)N(CCCCCCCCCCCCCCCCCC)[C@@H](CC(=O)Nc1ccc2c(c1)NNC2=O)C(O)=O
• InChI: 1S/C33H54N4O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-37(32(40)25(2)3)29(33(41)42)24-30(38)34-26-20-21-27-28(23-26)35-36-31(27)39/h20-21,23,25,29H,4-19,22,24H2,1-3H3,(H,34,38)(H,41,42)(H2,35,36,39)/t29-/m0/s1
• InChIKey: POCYRCHYIYFFIA-LJAQVGFWSA-N

Properties

• Density: 1.095g/cm³ (Cal.)
• Boiling point: 728.58°C at 760 mmHg (Cal.)
• Flash point: 394.431°C (Cal.)