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-methylpyrazol-4-yl)methyl]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)NCC1=CN(N=C1)C)(C)O)N(C)C

InChI

InChI=1S/C63H63N15O17S5/c1-25(79)42-55(85)74-43(26(2)90-8)58-70-37(24-98-58)54(84)75-46-48-49(95-40-13-63(4,88)50(76(5)6)27(3)94-40)62(87)92-17-29-10-9-11-38-41(29)31(18-91-48)47(78(38)89)61(86)93-19-32(66-52(82)35-23-100-60(46)71-35)57-67-33(20-97-57)44-30(56-68-36(22-96-56)53(83)73-42)12-39(80)45(72-44)59-69-34(21-99-59)51(81)64-14-28-15-65-77(7)16-28/h9-12,15-16,20-25,27,32,40,42,46,48-50,79-80,88-89H,13-14,17-19H2,1-8H3,(H,64,81)(H,66,82)(H,73,83)(H,74,85)(H,75,84)/b43-26+/t25-,27+,32+,40+,42+,46+,48+,49+,50-,63+/m1/s1

InChIKey

BVYTULYOMXRJKT-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-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide

Related CIDs

• CID 145998866