Chem
J-GLOBAL ID：200907063920535846   Nikkaji number：J1.633.309C

N-[1-O,4-[(4-Deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)]-4,6-dideoxy-α-D-glucopyranose-6-yl]-4′-methyl-2,2′-bipyridine-4-carboxamide

N-[1-O,4-[(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)]-4,6-ジデオキシ-α-D-グルコピラノース-6-イル]-4′-メチル-2,2′-ビピリジン-4-カルボアミド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C54H79N3O35
Molecular formula furigana： C54-H79-N3-O35
Molecular weight： 1330.212
InChI： InChI=1S/C54H79N3O35/c1-15-2-4-55-17(6-15)18-7-16(3-5-56-18)47(78)57-8-19-40-26(64)33(71)48(79-19)87-41-20(9-58)81-50(35(73)28(41)66)89-43-22(11-60)83-52(37(75)30(43)68)91-45-24(13-62)85-54(39(77)32(45)70)92-46-25(14-63)84-53(38(76)31(46)69)90-44-23(12-61)82-51(36(74)29(44)67)88-42-21(10-59)80-49(86-40)34(72)27(42)65/h2-7,19-46,48-54,58-77H,8-14H2,1H3,(H,57,78)/t19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34?,35-,36?,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,48-,49-,50-,51-,52-,53-,54-/m1/s1
InChI key： PHIIBWLGTYKTLY-HFAWVYNSSA-N
SMILES： Cc1ccnc(c1)c1cc(ccn1)C(=O)NC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)C(O)[C@H]8O)C(O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
Systematic name  (3)：
  • N-[1-O,4-[(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)]-4,6-ジデオキシ-α-D-グルコピラノース-6-イル]-4′-メチル-2,2′-ビピリジン-4-カルボアミド
  • 4'-メチル-N-{[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-テトラデカヒドロキシ-10,15,20,25,30,35-ヘキサキス(ヒドロキシメチル)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-テトラデカオキサオクタシクロ[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]ノナテトラコンタン-5-イル]メチル}-[2,2'-ビピリジン]-4-カルボキサミド
  • 4'-methyl-N-{[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl}-[2,2'-bipyridine]-4-carboxamide
Other name (1)：
  • N-[1-O,4-[(4-Deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)]-4,6-dideoxy-α-D-glucopyranose-6-yl]-4′-methyl-2,2′-bipyridine-4-carboxamide
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