[(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-[(2R,3R,4R,5S,6S)-6-aminocarbonyl-4-aminocarbonyloxy-5-[tert-butyl(dimethyl)silyl]oxy-2-non-2-ynoxy-oxan-3-yl]oxy-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-[(2R,3R,4R,5S,6S)-6-aminocarbonyl-4-aminocarbonyloxy-5-[tert-butyl(dimethyl)silyl]oxy-2-non-2-ynoxy-oxan-3-yl]oxy-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetoxy-6-[(2R,3R,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-carbamoyl-4-carbamoyloxy-2-non-2-ynoxy-tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-[[(2R,3R,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-carbamoyl-4-carbamoyloxy-2-non-2-ynoxy-3-oxanyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-[(2R,3R,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-carbamoyl-4-carbamoyloxy-2-non-2-ynoxyoxan-3-yl]oxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetoxy-6-[(2R,3R,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-carbamoyl-4-carbamoyloxy-2-non-2-ynoxy-tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C36H59N3O15Si MolecularWeight: 801.95026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CCOC1C(C(C(C(O1)C(=O)N)O[Si](C)(C)C(C)(C)C)OC(=O)N)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C

Isomeric SMILES

CCCCCCC#CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)N)O[Si](C)(C)C(C)(C)C)OC(=O)N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C

InChI

InChI=1S/C36H59N3O15Si/c1-11-12-13-14-15-16-17-18-46-34-31(28(53-35(38)45)29(30(51-34)32(37)44)54-55(9,10)36(6,7)8)52-33-25(39-20(2)40)27(49-23(5)43)26(48-22(4)42)24(50-33)19-47-21(3)41/h24-31,33-34H,11-15,18-19H2,1-10H3,(H2,37,44)(H2,38,45)(H,39,40)/t24-,25-,26-,27-,28+,29+,30+,31-,33+,34-/m1/s1