(2S,3S,4R,5R)-5-[6-Amino-2-[2-[4-[3-[2-[[2-(4-Azidophenyl)Acetyl]Amino]Ethylamino]-3-Oxopropyl]Phenyl]Ethylamino]Purin-9-Yl]-N-Ethyl-3,4-Dihydroxyoxolane-2-Carboxamide
[CAS# 129932-69-0]

Identification

• Name: (2S,3S,4R,5R)-5-[6-Amino-2-[2-[4-[3-[2-[[2-(4-Azidophenyl)Acetyl]Amino]Ethylamino]-3-Oxopropyl]Phenyl]Ethylamino]Purin-9-Yl]-N-Ethyl-3,4-Dihydroxyoxolane-2-Carboxamide
• Synonyms: (2S,3S,4R,5R)-5-[6-Amino-2-[2-[4-[3-[2-[[2-(4-Azidophenyl)Acetyl]Amino]Ethylamino]-3-Oxo-Propyl]Phenyl]Ethylamino]Purin-9-Yl]-N-Ethyl-3,4-Dihydroxy-Tetrahydrofuran-2-Carboxamide; (2S,3S,4R,5R)-5-[6-Amino-2-[2-[4-[3-[2-[[2-(4-Azidophenyl)-1-Oxoethyl]Amino]Ethylamino]-3-Oxopropyl]Phenyl]Ethylamino]-9-Purinyl]-N-Ethyl-3,4-Dihydroxy-2-Tetrahydrofurancarboxamide; (2S,3S,4R,5R)-5-[6-Amino-2-[2-[4-[3-[2-[[2-(4-Azidophenyl)Acetyl]Amino]Ethylamino]-3-Keto-Propyl]Phenyl]Ethylamino]Purin-9-Yl]-N-Ethyl-3,4-Dihydroxy-Tetrahydrofuran-2-Carboxamide
• Molecular Formula: C₃₃H₄₀N₁₂O₆
• Molecular Weight: 700.76
• CAS Registry Number: 129932-69-0
• SMILES: [C@H]5([N]4C1=C(C(=NC(=N1)NCCC2=CC=C(C=C2)CCC(NCCNC(CC3=CC=C(C=C3)N=[N+]=[N-])=O)=O)N)N=C4)[C@H](O)[C@H](O)[C@H](O5)C(=O)NCC
• InChI: 1S/C33H40N12O6/c1-2-36-31(50)28-26(48)27(49)32(51-28)45-18-40-25-29(34)41-33(42-30(25)45)39-14-13-20-5-3-19(4-6-20)9-12-23(46)37-15-16-38-24(47)17-21-7-10-22(11-8-21)43-44-35/h3-8,10-11,18,26-28,32,48-49H,2,9,12-17H2,1H3,(H,36,50)(H,37,46)(H,38,47)(H3,34,39,41,42)/t26-,27+,28-,32+/m0/s1
• InChIKey: YJGWMZNVZGRORZ-CKXMCULTSA-N