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-[2-(1h-imidazol-4-yl)ethyl]thiazole-4-carboxamide

Structural Information

Molecular Formula

C₆₃H₆₃N₁₅O₁₇S₅

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)NCCC1=CNC=N1)(C)O)N(C)C

InChI

InChI=1S/C63H63N15O17S5/c1-25(79)42-55(85)75-43(26(2)90-7)58-71-37(23-98-58)54(84)76-46-48-49(95-40-14-63(4,88)50(77(5)6)27(3)94-40)62(87)92-16-28-9-8-10-38-41(28)31(17-91-48)47(78(38)89)61(86)93-18-32(67-52(82)35-22-100-60(46)72-35)57-68-33(19-97-57)44-30(56-69-36(21-96-56)53(83)74-42)13-39(80)45(73-44)59-70-34(20-99-59)51(81)65-12-11-29-15-64-24-66-29/h8-10,13,15,19-25,27,32,40,42,46,48-50,79-80,88-89H,11-12,14,16-18H2,1-7H3,(H,64,66)(H,65,81)(H,67,82)(H,74,83)(H,75,85)(H,76,84)/b43-26+/t25-,27+,32+,40+,42+,46+,48+,49+,50-,63+/m1/s1

InChIKey

AMYMOOLWIDPEKV-DUHCTMNASA-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-[2-(1H-imidazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide

Related CIDs

• CID 25134780