2-[(e)-[(2s,4s,5r,6s)-5-(dimethylamino)-4-hydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-dihydroxy-[(1r)-1-hydroxyethyl]-(1-methoxyethylidene)-hexaoxo-[?]yl]-n-[1-[3-(2-pyridyl)-1,2,4-thiadiazol-5-yl]ethyl]thiazole-4-carboxamide

Structural Information

Molecular Formula

C₆₇H₆₄N₁₆O₁₇S₆

SMILES

C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@H]2[C@@H]3[C@H]4C5=NC(=CS5)C(=O)N[C@@H](COC(=O)C6=C(CO3)C7=C(COC2=O)C=CC=C7N6O)C8=NC(=CS8)C9=NC(=C(C=C9C1=NC(=CS1)C(=O)N[C@H](C(=O)N/C(=C(\C)/OC)/C1=NC(=CS1)C(=O)N4)[C@@H](C)O)O)C1=NC(=CS1)C(=O)NC(C)C1=NC(=NS1)C1=CC=CC=N1)(C)O)N(C)C

InChI

InChI=1S/C67H64N16O17S6/c1-26(59-80-53(81-106-59)33-13-9-10-15-68-33)69-54(86)36-23-104-63(74-36)47-41(85)16-31-46(76-47)35-21-102-61(71-35)34-20-98-65(91)49-32-19-96-50(51(100-42-17-67(5,93)52(82(6)7)29(4)99-42)66(92)97-18-30-12-11-14-40(43(30)32)83(49)94)48(64-75-37(24-105-64)55(87)70-34)79-57(89)39-25-103-62(73-39)45(28(3)95-8)78-58(90)44(27(2)84)77-56(88)38-22-101-60(31)72-38/h9-16,21-27,29,34,42,44,48,50-52,84-85,93-94H,17-20H2,1-8H3,(H,69,86)(H,70,87)(H,77,88)(H,78,90)(H,79,89)/b45-28+/t26?,27-,29+,34+,42+,44+,48+,50+,51+,52-,67+/m1/s1

InChIKey

LKCMIXCGIOGLDI-RLNOZWIMSA-N

Compound name

2-[(1S,18S,21E,28S,29S,30S)-30-[(2S,4S,5R,6S)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-9,52-dihydroxy-18-[(1R)-1-hydroxyethyl]-21-(1-methoxyethylidene)-16,19,26,31,42,46-hexaoxo-32,43,54-trioxa-3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decazadecacyclo[26.16.6.229,40.12,5.112,15.122,25.138,41.147,50.06,11.034,39]heptapentaconta-2(57),4,6,8,10,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaen-8-yl]-N-[1-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide

Related CIDs

• CID 146000437