(2S,3S,4R,5R)-5-[6-Amino-2-[2-[4-[3-[2-[[2-(4-Aminophenyl)Acetyl]Amino]Ethylamino]-3-Oxopropyl]Phenyl]Ethylamino]Purin-9-Yl]-N-Ethyl-3,4-Dihydroxyoxolane-2-Carboxamide
[CAS# 124190-27-8]

Identification

• Name: (2S,3S,4R,5R)-5-[6-Amino-2-[2-[4-[3-[2-[[2-(4-Aminophenyl)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-Aminophenyl)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-Aminophenyl)-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-Aminophenyl)Acetyl]Amino]Ethylamino]-3-Keto-Propyl]Phenyl]Ethylamino]Purin-9-Yl]-N-Ethyl-3,4-Dihydroxy-Tetrahydrofuran-2-Carboxamide
• Molecular Formula: C₃₃H₄₂N₁₀O₆
• Molecular Weight: 674.76
• CAS Registry Number: 124190-27-8
• SMILES: [C@@H]5([N]4C1=C(C(=NC(=N1)NCCC2=CC=C(C=C2)CCC(NCCNC(CC3=CC=C(N)C=C3)=O)=O)N)N=C4)O[C@H](C(NCC)=O)[C@H]([C@H]5O)O
• InChI: 1S/C33H42N10O6/c1-2-36-31(48)28-26(46)27(47)32(49-28)43-18-40-25-29(35)41-33(42-30(25)43)39-14-13-20-5-3-19(4-6-20)9-12-23(44)37-15-16-38-24(45)17-21-7-10-22(34)11-8-21/h3-8,10-11,18,26-28,32,46-47H,2,9,12-17,34H2,1H3,(H,36,48)(H,37,44)(H,38,45)(H3,35,39,41,42)/t26-,27+,28-,32+/m0/s1
• InChIKey: YACZPSXUHHLMLM-CKXMCULTSA-N

Properties

• Density: 1.502g/cm³ (Cal.)