ethyl 2-[(1S,2R,3aS,7aS,8aS)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(3S)-3-cyclohexyl-3-(oxan-2-yloxy)prop-1-ynyl]-8a-(phenylsulfonyl)-2,3,3a,5,6,7,7a,8-octahydro-1H-cyclopenta[b]pyrrolizin-5-yl]ethanoate

Systemtic Name: ethyl 2-[(1S,2R,3aS,7aS,8aS)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(3S)-3-cyclohexyl-3-(oxan-2-yloxy)prop-1-ynyl]-8a-(phenylsulfonyl)-2,3,3a,5,6,7,7a,8-octahydro-1H-cyclopenta[b]pyrrolizin-5-yl]ethanoate Openeye Name: ethyl 2-[(1S,2R,3aS,7aS,8aS)-8a-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(3S)-3-cyclohexyl-3-tetrahydropyran-2-yloxy-prop-1-ynyl]-2,3,3a,5,6,7,7a,8-octahydro-1H-cyclopenta[b]pyrrolizin-5-yl]acetate CAS Name: 2-[(1S,2R,3aS,7aS,8aS)-8a-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(3S)-3-cyclohexyl-3-(2-oxanyloxy)prop-1-ynyl]-2,3,3a,5,6,7,7a,8-octahydro-1H-cyclopenta[b]pyrrolizin-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(1S,2R,3aS,7aS,8aS)-8a-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(3S)-3-cyclohexyl-3-(oxan-2-yloxy)prop-1-ynyl]-2,3,3a,5,6,7,7a,8-octahydro-1H-cyclopenta[b]pyrrolizin-5-yl]acetate Traditional Name: 2-[(1S,2R,3aS,7aS,8aS)-8a-besyl-2-[tert-butyl(dimethyl)silyl]oxy-1-[(3S)-3-cyclohexyl-3-tetrahydropyran-2-yloxy-prop-1-ynyl]-2,3,3a,5,6,7,7a,8-octahydro-1H-cyclopenta[b]pyrrolizin-5-yl]acetic acid ethyl ester Formula: C40H61NO7SSi MolecularWeight: 728.06534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CCC2N1C3CC(C(C3(C2)S(=O)(=O)C4=CC=CC=C4)C#CC(C5CCCCC5)OC6CCCCO6)O[Si](C)(C)C(C)(C)C

Isomeric SMILES

CCOC(=O)CC1CC[C@@H]2N1[C@H]3C[C@H]([C@@H]([C@]3(C2)S(=O)(=O)C4=CC=CC=C4)C#C[C@H](C5CCCCC5)OC6CCCCO6)O[Si](C)(C)C(C)(C)C

InChI

InChI=1S/C40H61NO7SSi/c1-7-45-37(42)26-30-21-22-31-28-40(49(43,44)32-18-12-9-13-19-32)33(35(27-36(40)41(30)31)48-50(5,6)39(2,3)4)23-24-34(29-16-10-8-11-17-29)47-38-20-14-15-25-46-38/h9,12-13,18-19,29-31,33-36,38H,7-8,10-11,14-17,20-22,25-28H2,1-6H3/t30?,31-,33-,34+,35+,36-,38?,40-/m0/s1