[(2S)-1-[[(2S)-1-[2-[2,3-Di(Hexadecanoyloxy)Propoxy-Hydroxyphosphoryl]Oxyethylamino]-3-Methyl-1-Oxobutan-2-Yl]Amino]-4-Methyl-1-Oxopentan-2-Yl] 1-[(2R)-2-[[(2S)-2-(2-Methylpropoxycarbonylamino)-3-Phenylpropanoyl]Amino]-3-Naphthalen-2-Ylpropanoyl]Piperidine-4-Carboxylate
[CAS# 159440-09-2]

Identification

• Name: [(2S)-1-[[(2S)-1-[2-[2,3-Di(Hexadecanoyloxy)Propoxy-Hydroxyphosphoryl]Oxyethylamino]-3-Methyl-1-Oxobutan-2-Yl]Amino]-4-Methyl-1-Oxopentan-2-Yl] 1-[(2R)-2-[[(2S)-2-(2-Methylpropoxycarbonylamino)-3-Phenylpropanoyl]Amino]-3-Naphthalen-2-Ylpropanoyl]Piperidine-4-Carboxylate
• Synonyms: [(1S)-1-[[(1S)-1-[2-[2,3-Di(Hexadecanoyloxy)Propoxy-Hydroxy-Phosphoryl]Oxyethylcarbamoyl]-2-Methyl-Propyl]Carbamoyl]-3-Methyl-Butyl] 1-[(2R)-2-[[(2S)-2-(Isobutoxycarbonylamino)-3-Phenyl-Propanoyl]Amino]-3-(2-Naphthyl)Propanoyl]Piperidine-4-Carboxylate; 1-[(2R)-2-[[(2S)-2-[(Isobutoxy-Oxomethyl)Amino]-1-Oxo-3-Phenylpropyl]Amino]-3-(2-Naphthyl)-1-Oxopropyl]-4-Piperidinecarboxylic Acid [(1S)-1-[[[(1S)-1-[[2-[2,3-Bis(1-Oxohexadecoxy)Propoxy-Hydroxyphosphoryl]Oxyethylamino]-Oxomethyl]-2-Methylpropyl]Amino]-Oxomethyl]-3-Methylbutyl] Ester; 1-[(2R)-2-[[(2S)-2-(Isobutoxycarbonylamino)-3-Phenyl-Propanoyl]Amino]-3-(2-Naphthyl)Propanoyl]Isonipecotic Acid [(1S)-1-[[(1S)-1-[2-[2,3-Di(Hexadecanoyloxy)Propoxy-Hydroxy-Phosphoryl]Oxyethylcarbamoyl]-2-Methyl-Propyl]Carbamoyl]-3-Methyl-Butyl] Ester
• Molecular Formula: C₈₁H₁₃₀N₅O₁₆P
• Molecular Weight: 1460.92
• CAS Registry Number: 159440-09-2
• SMILES: [C@@H](CC2=CC1=CC=CC=C1C=C2)(C(N3CCC(CC3)C(O[C@H](C(N[C@H](C(NCCO[P](OCC(COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCC)=O)(O)=O)=O)C(C)C)=O)CC(C)C)=O)=O)NC([C@H](CC4=CC=CC=C4)NC(OCC(C)C)=O)=O
• InChI: 1S/C81H130N5O16P/c1-9-11-13-15-17-19-21-23-25-27-29-31-36-44-73(87)97-59-69(101-74(88)45-37-32-30-28-26-24-22-20-18-16-14-12-10-2)60-100-103(95,96)99-53-50-82-78(91)75(63(7)8)85-77(90)72(54-61(3)4)102-80(93)67-48-51-86(52-49-67)79(92)71(57-65-46-47-66-42-38-39-43-68(66)55-65)83-76(89)70(56-64-40-34-33-35-41-64)84-81(94)98-58-62(5)6/h33-35,38-43,46-47,55,61-63,67,69-72,75H,9-32,36-37,44-45,48-54,56-60H2,1-8H3,(H,82,91)(H,83,89)(H,84,94)(H,85,90)(H,95,96)/t69?,70-,71+,72-,75-/m0/s1
• InChIKey: HVHBGVRONQVPKL-MRMGIAJKSA-N

Properties

• Density: 1.106g/cm³ (Cal.)