Chem
J-GLOBAL ID:200907005257264019   Nikkaji number:J1.901.386C

N,N′-Bis[5-[[2-[2-(acetylamino)-2-deoxy-α-D-galactopyranosyloxy]ethyl]carbamoyl]pentyl]-2,2′-bipyridine-4,4′-dicarboxamide

N,N′-ビス[5-[[2-[2-(アセチルアミノ)-2-デオキシ-α-D-ガラクトピラノシルオキシ]エチル]カルバモイル]ペンチル]-2,2′-ビピリジン-4,4′-ジカルボアミド
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: C44H66N8O16
Molecular formula furigana: C44-H66-N8-O16
Molecular weight: 963.052
InChI: InChI=1S/C44H66N8O16/c1-25(55)51-35-39(61)37(59)31(23-53)67-43(35)65-19-17-47-33(57)9-5-3-7-13-49-41(63)27-11-15-45-29(21-27)30-22-28(12-16-46-30)42(64)50-14-8-4-6-10-34(58)48-18-20-66-44-36(52-26(2)56)40(62)38(60)32(24-54)68-44/h11-12,15-16,21-22,31-32,35-40,43-44,53-54,59-62H,3-10,13-14,17-20,23-24H2,1-2H3,(H,47,57)(H,48,58)(H,49,63)(H,50,64)(H,51,55)(H,52,56)/t31-,32-,35-,36-,37+,38+,39-,40-,43+,44+/m1/s1
InChI key: QZEYOIFGXCTHOR-XLPLHLIDSA-N
SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OCCNC(=O)CCCCCNC(=O)c1ccnc(c1)c1cc(ccn1)C(=O)NCCCCCC(=O)NCCO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(=O)C
Systematic name  (3):
  • N,N′-ビス[5-[[2-[2-(アセチルアミノ)-2-デオキシ-α-D-ガラクトピラノシルオキシ]エチル]カルバモイル]ペンチル]-2,2′-ビピリジン-4,4′-ジカルボアミド
  • N-(2-{[(2S,3R,4R,5R,6R)-3-アセトアミド-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}エチル)-6-{[4'-({5-[(2-{[(2S,3R,4R,5R,6R)-3-アセトアミド-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}エチル)カルバモイル]ペンチル}カルバモイル)-[2,2'-ビピリジン]-4-イル]ホルムアミド}ヘキサンアミド
  • N-(2-{[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-6-{[4'-({5-[(2-{[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)carbamoyl]pentyl}carbamoyl)-[2,2'-bipyridin]-4-yl]formamido}hexanamide
Other name (1):
  • N,N′-Bis[5-[[2-[2-(acetylamino)-2-deoxy-α-D-galactopyranosyloxy]ethyl]carbamoyl]pentyl]-2,2′-bipyridine-4,4′-dicarboxamide
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