3-[[8-[[(3B)-3-Hydroxy-28-Oxolup-20(29)-En-28-Yl]Amino]-1-Oxooctyl]Amino]-2-Methyl-Propanoic Acid
[CAS# 174740-51-3]

Identification

• Name: 3-[[8-[[(3B)-3-Hydroxy-28-Oxolup-20(29)-En-28-Yl]Amino]-1-Oxooctyl]Amino]-2-Methyl-Propanoic Acid
• Synonyms: Aids-033508; Aids033508; Propanoic Acid, 3-[[8-[[(3.Beta.)-3-Hydroxy-28-Oxolup-20(29)-En-28-Yl]Amino]-1-Oxooctyl]Amino]-2-Methyl-
• Molecular Formula: C₄₂H₇₀N₂O₅
• Molecular Weight: 683.03
• CAS Registry Number: 174740-51-3
• SMILES: [C@@]13([C@@H]([C@@H]2[C@@](CC1)(CC[C@H]2C(=C)C)C(=O)NCCCCCCCC(=O)NCC(C(=O)O)C)CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H](O)C5(C)C)C)C)C
• InChI: 1S/C42H70N2O5/c1-27(2)29-17-22-42(37(49)43-25-13-11-9-10-12-14-34(46)44-26-28(3)36(47)48)24-23-40(7)30(35(29)42)15-16-32-39(6)20-19-33(45)38(4,5)31(39)18-21-41(32,40)8/h28-33,35,45H,1,9-26H2,2-8H3,(H,43,49)(H,44,46)(H,47,48)/t28?,29-,30+,31-,32+,33-,35+,39-,40+,41+,42-/m0/s1
• InChIKey: JHXQBQRGJBYTRL-ZNSHGRRPSA-N

Properties

• Density: 1.069g/cm³ (Cal.)
• Boiling point: 817.478°C at 760 mmHg (Cal.)
• Flash point: 448.195°C (Cal.)