[5-[2,4-Dioxo-5-[(E)-3-[3-[2-[6-[5-(2-Oxo-1,3,3A,4,6,6alpha-Hexahydrothieno[3,4-d]Imidazol-6-Yl)Pentanoylamino]Hexanoylamino]Ethyldisulfanyl]Propanoylamino]Prop-1-Enyl]Pyrimidin-1-Yl]-3-Hydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
[CAS# 104142-46-3]

Identification

• Name: [5-[2,4-Dioxo-5-[(E)-3-[3-[2-[6-[5-(2-Oxo-1,3,3A,4,6,6alpha-Hexahydrothieno[3,4-d]Imidazol-6-Yl)Pentanoylamino]Hexanoylamino]Ethyldisulfanyl]Propanoylamino]Prop-1-Enyl]Pyrimidin-1-Yl]-3-Hydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
• Synonyms: [5-[2,4-Dioxo-5-[(E)-3-[3-[2-[6-[5-(2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl)Pentanoylamino]Hexanoylamino]Ethyldisulfanyl]Propanoylamino]Prop-1-Enyl]Pyrimidin-1-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [5-[2,4-Dioxo-5-[(E)-3-[[1-Oxo-3-[2-[[1-Oxo-6-[[1-Oxo-5-(2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl)Pentyl]Amino]Hexyl]Amino]Ethyldisulfanyl]Propyl]Amino]Prop-1-Enyl]-1-Pyrimidinyl]-3-Hydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [5-[2,4-Diketo-5-[(E)-3-[3-[2-[6-[5-(2-Keto-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl)Pentanoylamino]Hexanoylamino]Ethyldisulfanyl]Propanoylamino]Prop-1-Enyl]Pyrimidin-1-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₃₃H₅₄N₇O₁₈P₃S₃
• Molecular Weight: 1025.93
• CAS Registry Number: 104142-46-3
• SMILES: C(O[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)C4OC(N1C(=O)NC(=O)C(=C1)\C=C\CNC(=O)CCSSCCNC(=O)CCCCCNC(=O)CCCCC2SCC3NC(=O)NC23)CC4O
• InChI: 1S/C33H54N7O18P3S3/c41-23-17-29(56-24(23)19-55-60(51,52)58-61(53,54)57-59(48,49)50)40-18-21(31(45)39-33(40)47)7-6-13-35-28(44)11-15-63-64-16-14-36-27(43)9-2-1-5-12-34-26(42)10-4-3-8-25-30-22(20-62-25)37-32(46)38-30/h6-7,18,22-25,29-30,41H,1-5,8-17,19-20H2,(H,34,42)(H,35,44)(H,36,43)(H,51,52)(H,53,54)(H2,37,38,46)(H,39,45,47)(H2,48,49,50)/b7-6+
• InChIKey: BVFVAYBZGIQMFG-VOTSOKGWSA-N

Properties

• Density: 1.546g/cm³ (Cal.)