COMPOUND RECORD :


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Summary

Compound Information

FormulaC112H189N7O35S14
Molecular Weight2642.635
SynonymsNot available

Structure Descriptors

SMILES:[H]N(C[C@H]1O[C@@H]2O[C@@H]3[C@@H](CN([H])C(=O)CCCCC4CCSS4)O[C@H](O[C@@H]4[C@@H](CN([H])C(=O)CCCCC5CCSS5)O[C@H](O[C@@H]5[C@@H](CN([H])C(=O)CCCCC6CCSS6)O[C@H](O[C@@H]6[C@@H](CN([H])C(=O)CCCCC7CCSS7)O[C@H](O[C@@H]7[C@@H](CN([H])C(=O)CCCCC8CCSS8)O[C@H](O[C@@H]8[C@@H](CN([H])C(=O)CCCCC9CCSS9)O[C@H](O[C@H]1[C@H](OC)[C@H]2OC)[C@H](OC)[C@H]8OC)[C@H](OC)[C@H]7OC)[C@H](OC)[C@H]6OC)[C@H](OC)[C@H]5OC)[C@H](OC)[C@H]4OC)[C@H](OC)[C@H]3OC)C(=O)CCCCC1CCSS1
InChI:1S/C112H189N7O35S14/c1-127-92-85-71(57-113-78(120)36-22-15-29-64-43-50-155-162-64)141-106(99(92)134-8)149-86-72(58-114-79(121)37-23-16-30-65-44-51-156-163-65)143-108(101(136-10)93(86)128-2)151-88-74(60-116-81(123)39-25-18-32-67-46-53-158-165-67)145-110(103(138-12)95(88)130-4)153-90-76(62-118-83(125)41-27-20-34-69-48-55-160-167-69)147-112(105(140-14)97(90)132-6)154-91-77(63-119-84(126)42-28-21-35-70-49-56-161-168-70)146-111(104(139-13)98(91)133-7)152-89-75(61-117-82(124)40-26-19-33-68-47-54-159-166-68)144-109(102(137-11)96(89)131-5)150-87-73(142-107(148-85)100(135-9)94(87)129-3)59-115-80(122)38-24-17-31-66-45-52-157-164-66/h64-77,85-112H,15-63H2,1-14H3,(H,113,120)(H,114,121)(H,115,122)(H,116,123)(H,117,124)(H,118,125)(H,119,126)/t64?,65?,66?,67?,68?,69?,70?,71-,72-,73-,74-,75-,76-,77-,85-,86-,87-,88-,89-,90-,91-,92+,93+,94+,95+,96+,97+,98+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-/m1/s1
InChIKey:YCLZPBKKJJPPRG-AJGOQIDUSA-N