2-[[(2S)-2-(Hexadecanoylamino)-6-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Hexanoyl]Amino]Ethyl 2-Trimethylazaniumylethyl Phosphate
[CAS# 109897-91-8]

Identification

• Name: 2-[[(2S)-2-(Hexadecanoylamino)-6-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Hexanoyl]Amino]Ethyl 2-Trimethylazaniumylethyl Phosphate
• Synonyms: 2-[[(2S)-2-(Hexadecanoylamino)-6-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Hexanoyl]Amino]Ethyl 2-Trimethylammonioethyl Phosphate; 2-[[(2S)-6-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]-1-Oxo-2-(1-Oxohexadecylamino)Hexyl]Amino]Ethyl 2-Trimethylammonioethyl Phosphate; 2-[[(2S)-6-[(7-Nitrobenzofurazan-4-Yl)Amino]-2-Palmitamido-Hexanoyl]Amino]Ethyl 2-Trimethylammonioethyl Phosphate
• Molecular Formula: C₃₅H₆₂N₇O₉P
• Molecular Weight: 755.89
• CAS Registry Number: 109897-91-8
• SMILES: [C@H](NC(=O)CCCCCCCCCCCCCCC)(CCCCNC1=CC=C([N+]([O-])=O)C2=NON=C12)C(=O)NCCO[P](OCC[N+](C)(C)C)([O-])=O
• InChI: 1S/C35H62N7O9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-32(43)38-30(35(44)37-25-27-49-52(47,48)50-28-26-42(2,3)4)20-18-19-24-36-29-22-23-31(41(45)46)34-33(29)39-51-40-34/h22-23,30H,5-21,24-28H2,1-4H3,(H3-,36,37,38,40,43,44,47,48)/t30-/m0/s1
• InChIKey: PGROHZHFGAHXNO-PMERELPUSA-N