(4E,7S,8R,9Z,11E,13Z)-10-bromanyl-8-[tert-butyl(dimethyl)silyl]oxy-15-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-7-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyl-oxan-2-yl]oxy-pentadeca-4,9,11,13-tetraenoic acid

Systemtic Name: (4E,7S,8R,9Z,11E,13Z)-10-bromanyl-8-[tert-butyl(dimethyl)silyl]oxy-15-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-7-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyl-oxan-2-yl]oxy-pentadeca-4,9,11,13-tetraenoic acid Openeye Name: (4E,7S,8R,9Z,11E,13Z)-10-bromo-8-[tert-butyl(dimethyl)silyl]oxy-15-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-7-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyl-tetrahydropyran-2-yl]oxy-pentadeca-4,9,11,13-tetraenoic acid CAS Name: (4E,7S,8R,9Z,11E,13Z)-10-bromo-8-[tert-butyl(dimethyl)silyl]oxy-15-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-7-[[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyl-2-oxanyl]oxy]pentadeca-4,9,11,13-tetraenoic acid IUPAC Name: (4E,7S,8R,9Z,11E,13Z)-10-bromo-8-[tert-butyl(dimethyl)silyl]oxy-15-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-7-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxypentadeca-4,9,11,13-tetraenoic acid Traditional Name: (4E,7S,8R,9Z,11E,13Z)-10-bromo-8-[tert-butyl(dimethyl)silyl]oxy-15-[carbethoxy-(carbethoxyamino)amino]-7-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyl-tetrahydropyran-2-yl]oxy-pentadeca-4,9,11,13-tetraenoic acid Formula: C36H61BrN2O12Si MolecularWeight: 821.86524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NN(CC=CC=CC(=CC(C(CC=CCCC(=O)O)OC1C(C(C(C(O1)C)OC)OC)OC)O[Si](C)(C)C(C)(C)C)Br)C(=O)OCC

Isomeric SMILES

CCOC(=O)NN(C/C=C\C=C\C(=C\[C@H]([C@H](C/C=C/CCC(=O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)OC)OC)OC)O[Si](C)(C)C(C)(C)C)\Br)C(=O)OCC

InChI

InChI=1S/C36H61BrN2O12Si/c1-12-47-34(42)38-39(35(43)48-13-2)23-19-15-16-20-26(37)24-28(51-52(10,11)36(4,5)6)27(21-17-14-18-22-29(40)41)50-33-32(46-9)31(45-8)30(44-7)25(3)49-33/h14-17,19-20,24-25,27-28,30-33H,12-13,18,21-23H2,1-11H3,(H,38,42)(H,40,41)/b17-14+,19-15-,20-16+,26-24-/t25-,27-,28+,30-,31+,32+,33-/m0/s1