(2S)-2-acetamido-N-[(2S,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[6-[(E)-(dibutylamino)methylideneamino]purin-9-yl]oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide

Systemtic Name: (2S)-2-acetamido-N-[(2S,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[6-[(E)-(dibutylamino)methylideneamino]purin-9-yl]oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide Openeye Name: (2S)-2-acetamido-N-[(2S,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[6-[(E)-(dibutylamino)methyleneamino]purin-9-yl]tetrahydrofuran-3-yl]-3-(4-hydroxyphenyl)propanamide CAS Name: (2S)-2-acetamido-N-[(2S,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[6-[(E)-(dibutylamino)methylideneamino]-9-purinyl]-3-oxolanyl]-3-(4-hydroxyphenyl)propanamide IUPAC Name: (2S)-2-acetamido-N-[(2S,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[6-[(E)-(dibutylamino)methylideneamino]purin-9-yl]oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide Traditional Name: (2S)-2-acetamido-N-[(2S,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[6-[(E)-(dibutylamino)methyleneamino]purin-9-yl]tetrahydrofuran-3-yl]-3-(4-hydroxyphenyl)propionamide Formula: C42H70N8O6Si2 MolecularWeight: 839.2262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C=NC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO[Si](C)(C)C(C)(C)C)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C)O[Si](C)(C)C(C)(C)C

Isomeric SMILES

CCCCN(CCCC)/C=N/C1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[Si](C)(C)C(C)(C)C)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)C)O[Si](C)(C)C(C)(C)C

InChI

InChI=1S/C42H70N8O6Si2/c1-14-16-22-49(23-17-15-2)27-46-37-35-38(44-26-43-37)50(28-45-35)40-36(56-58(12,13)42(7,8)9)34(33(55-40)25-54-57(10,11)41(4,5)6)48-39(53)32(47-29(3)51)24-30-18-20-31(52)21-19-30/h18-21,26-28,32-34,36,40,52H,14-17,22-25H2,1-13H3,(H,47,51)(H,48,53)/b46-27+/t32-,33+,34+,36+,40+/m0/s1