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-methyl-4-piperidyl)thiazole-4-carbohydrazide

Structural Information

Molecular Formula

C₆₄H₆₉N₁₅O₁₇S₅

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)NNC1CCN(CC1)C)(C)O)N(C)C

InChI

InChI=1S/C64H69N15O17S5/c1-26(80)43-56(86)73-44(27(2)91-8)59-68-37(24-99-59)54(84)74-47-49-50(96-41-17-64(4,89)51(77(5)6)28(3)95-41)63(88)93-18-29-10-9-11-39-42(29)32(19-92-49)48(79(39)90)62(87)94-20-33(65-52(82)35-23-101-61(47)69-35)58-66-34(21-98-58)45-31(57-67-36(22-97-57)53(83)72-43)16-40(81)46(71-45)60-70-38(25-100-60)55(85)76-75-30-12-14-78(7)15-13-30/h9-11,16,21-26,28,30,33,41,43,47,49-51,75,80-81,89-90H,12-15,17-20H2,1-8H3,(H,65,82)(H,72,83)(H,73,86)(H,74,84)(H,76,85)/b44-27+/t26-,28+,33+,41+,43+,47+,49+,50+,51-,64+/m1/s1

InChIKey

WSIYSAIDMZJDIB-WFPLVYNFSA-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-methylpiperidin-4-yl)-1,3-thiazole-4-carbohydrazide

Related CIDs

• CID 146001207