[3-Hydroxy-4-[[3-[2-[2-[3-[(2-Hydroxy-3,3-Dimethyl-4-Phosphonooxybutanoyl)Amino]Propanoylamino]Ethyldisulfanyl]Ethylamino]-3-Oxopropyl]Amino]-2,2-Dimethyl-4-Oxobutyl] Dihydrogen Phosphate
[CAS# 2664-64-4]

Identification

• Name: [3-Hydroxy-4-[[3-[2-[2-[3-[(2-Hydroxy-3,3-Dimethyl-4-Phosphonooxybutanoyl)Amino]Propanoylamino]Ethyldisulfanyl]Ethylamino]-3-Oxopropyl]Amino]-2,2-Dimethyl-4-Oxobutyl] Dihydrogen Phosphate
• Synonyms: [3-Hydroxy-4-[[3-[2-[2-[3-[(2-Hydroxy-3,3-Dimethyl-4-Phosphonooxy-Butanoyl)Amino]Propanoylamino]Ethyldisulfanyl]Ethylamino]-3-Oxo-Propyl]Amino]-2,2-Dimethyl-4-Oxo-Butyl] Dihydrogen Phosphate; [3-Hydroxy-4-[[3-[2-[2-[[3-[(2-Hydroxy-3,3-Dimethyl-1-Oxo-4-Phosphonooxybutyl)Amino]-1-Oxopropyl]Amino]Ethyldisulfanyl]Ethylamino]-3-Oxopropyl]Amino]-2,2-Dimethyl-4-Oxobutyl] Dihydrogen Phosphate; [3-Hydroxy-4-[[3-[2-[2-[3-[(2-Hydroxy-3,3-Dimethyl-4-Phosphonooxy-Butanoyl)Amino]Propanoylamino]Ethyldisulfanyl]Ethylamino]-3-Keto-Propyl]Amino]-4-Keto-2,2-Dimethyl-Butyl] Dihydrogen Phosphate
• Molecular Formula: C₂₂H₄₄N₄O₁₄P₂S₂
• Molecular Weight: 714.68
• CAS Registry Number: 2664-64-4
• SMILES: C(NC(=O)C(C(CO[P](O)(=O)O)(C)C)O)CC(NCCSSCCNC(CCNC(=O)C(C(CO[P](O)(=O)O)(C)C)O)=O)=O
• InChI: 1S/C22H44N4O14P2S2/c1-21(2,13-39-41(33,34)35)17(29)19(31)25-7-5-15(27)23-9-11-43-44-12-10-24-16(28)6-8-26-20(32)18(30)22(3,4)14-40-42(36,37)38/h17-18,29-30H,5-14H2,1-4H3,(H,23,27)(H,24,28)(H,25,31)(H,26,32)(H2,33,34,35)(H2,36,37,38)
• InChIKey: MQADSHRZGLDQRM-UHFFFAOYSA-N

Properties

• Density: 1.458g/cm³ (Cal.)