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'-[5-(2-furyl)-1h-pyrazole-3-carbonyl]thiazole-4-carbohydrazide

Structural Information

Molecular Formula

C₆₆H₆₂N₁₆O₁₉S₅

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)NNC(=O)C1=NNC(=C1)C1=CC=CO1)(C)O)N(C)C

InChI

InChI=1S/C66H62N16O19S5/c1-25(83)44-58(90)75-45(26(2)95-7)61-70-37(23-104-61)55(87)76-48-50-51(101-42-16-66(4,93)52(81(5)6)27(3)100-42)65(92)98-17-28-10-8-11-39-43(28)30(18-97-50)49(82(39)94)64(91)99-19-33(67-53(85)35-22-106-63(48)71-35)60-68-34(20-103-60)46-29(59-69-36(21-102-59)54(86)74-44)14-40(84)47(73-46)62-72-38(24-105-62)57(89)80-79-56(88)32-15-31(77-78-32)41-12-9-13-96-41/h8-15,20-25,27,33,42,44,48,50-52,83-84,93-94H,16-19H2,1-7H3,(H,67,85)(H,74,86)(H,75,90)(H,76,87)(H,77,78)(H,79,88)(H,80,89)/b45-26+/t25-,27+,33+,42+,44+,48+,50+,51+,52-,66+/m1/s1

InChIKey

PTDQRQNZTXKKTB-VWJGLUHVSA-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'-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-1,3-thiazole-4-carbohydrazide

Related CIDs

• CID 146001208