4-Azido-N-[(2S)-1-[[(2S,3S,4R,5R)-5-(6-Dimethylaminopurin-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Oxolan-3-Yl]Amino]-3-(4-Methoxyphenyl)-1-Oxopropan-2-Yl]-2-Nitrobenzamide
[CAS# 73579-23-4]

Identification

• Name: 4-Azido-N-[(2S)-1-[[(2S,3S,4R,5R)-5-(6-Dimethylaminopurin-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Oxolan-3-Yl]Amino]-3-(4-Methoxyphenyl)-1-Oxopropan-2-Yl]-2-Nitrobenzamide
• Synonyms: 4-Azido-N-[(1S)-2-[[(2S,3S,4R,5R)-5-(6-Dimethylaminopurin-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl]Amino]-1-[(4-Methoxyphenyl)Methyl]-2-Oxo-Ethyl]-2-Nitro-Benzamide; 4-Azido-N-[(1S)-2-[[(2S,3S,4R,5R)-5-(6-Dimethylamino-9-Purinyl)-4-Hydroxy-2-(Hydroxymethyl)-3-Tetrahydrofuranyl]Amino]-1-[(4-Methoxyphenyl)Methyl]-2-Oxoethyl]-2-Nitrobenzamide; 4-Azido-N-[(1S)-2-[[(2S,3S,4R,5R)-5-(6-Dimethylaminopurin-9-Yl)-4-Hydroxy-2-Methylol-Tetrahydrofuran-3-Yl]Amino]-2-Keto-1-(4-Methoxybenzyl)Ethyl]-2-Nitro-Benzamide
• Molecular Formula: C₂₉H₃₁N₁₁O₈
• Molecular Weight: 661.63
• CAS Registry Number: 73579-23-4
• SMILES: [N+](=NC5=CC(=C(C(=O)N[C@H](C(=O)N[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO)[N]2C3=C(N=C2)C(=NC=N3)N(C)C)CC4=CC=C(OC)C=C4)C=C5)[N+]([O-])=O)=[N-]
• InChI: 1S/C29H31N11O8/c1-38(2)25-23-26(32-13-31-25)39(14-33-23)29-24(42)22(21(12-41)48-29)35-28(44)19(10-15-4-7-17(47-3)8-5-15)34-27(43)18-9-6-16(36-37-30)11-20(18)40(45)46/h4-9,11,13-14,19,21-22,24,29,41-42H,10,12H2,1-3H3,(H,34,43)(H,35,44)/t19-,21+,22+,24+,29+/m0/s1
• InChIKey: UUGPZVWEVTVYRC-OGTWZCNESA-N