(3S)-3-[2-[2-[[(2S)-4-Hydroxy-1-octadecoxy-1,4-dioxobutan-2-yl]amino]icosyl-octadecylamino]ethylamino]-4-octadecoxy-4-oxobutanoic acid
[CAS# 62477-04-7]

Identification

• Name: (3S)-3-[2-[2-[[(2S)-4-Hydroxy-1-octadecoxy-1,4-dioxobutan-2-yl]amino]icosyl-octadecylamino]ethylamino]-4-octadecoxy-4-oxobutanoic acid
• Synonyms: (3S)-3-[1-[[2-[[(1S)-3-Hydroxy-1-Octadecoxycarbonyl-3-Oxo-Propyl]Amino]Ethyl-Octadecyl-Amino]Methyl]Nonadecylamino]-4-Octadecoxy-4-Oxo-Butanoic Acid; (3S)-3-[1-[[2-[[(1S)-3-Hydroxy-1-(Octadecoxy-Oxomethyl)-3-Oxopropyl]Amino]Ethyl-Octadecylamino]Methyl]Nonadecylamino]-4-Octadecoxy-4-Oxobutanoic Acid; (3S)-3-[1-[[2-[[(1S)-3-Hydroxy-3-Keto-1-Stearyloxycarbonyl-Propyl]Amino]Ethyl-Stearyl-Amino]Methyl]Nonadecylamino]-4-Keto-4-Stearyloxy-Butyric Acid
• Molecular Formula: C₈₄H₁₆₅N₃O₈
• Molecular Weight: 1345.24
• CAS Registry Number: 62477-04-7
• EINECS: 263-567-5
• SMILES: [C@@H](NC(CN(CCN[C@H](C(OCCCCCCCCCCCCCCCCCC)=O)CC(=O)O)CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC)(C(OCCCCCCCCCCCCCCCCCC)=O)CC(=O)O
• InChI: 1S/C84H165N3O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-78(86-80(76-82(90)91)84(93)95-74-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)77-87(71-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)72-70-85-79(75-81(88)89)83(92)94-73-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h78-80,85-86H,5-77H2,1-4H3,(H,88,89)(H,90,91)/t78?,79-,80-/m0/s1
• InChIKey: KSUXQFOUILMSLR-WDCAFTAKSA-N