Chem
J-GLOBAL ID：200907023299719677   Nikkaji number：J2.229.955G

Bis[3-(3-methoxybenzoylamino)-3-deoxy-β-D-galactopyranosyl] sulfide

ビス[3-(3-メトキシベンゾイルアミノ)-3-デオキシ-β-D-ガラクトピラノシル]スルフィド
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： C28H36N2O12S
Molecular formula furigana： C28-H36-N2-O12-S
Molecular weight： 624.660
InChI： InChI=1S/C28H36N2O12S/c1-39-15-7-3-5-13(9-15)25(37)29-19-21(33)17(11-31)41-27(23(19)35)43-28-24(36)20(22(34)18(12-32)42-28)30-26(38)14-6-4-8-16(10-14)40-2/h3-10,17-24,27-28,31-36H,11-12H2,1-2H3,(H,29,37)(H,30,38)/t17-,18-,19+,20+,21+,22+,23-,24-,27+,28+/m1/s1
InChI key： QBKIEMZLDPHISU-CWKIZLMASA-N
SMILES： COc1cccc(c1)C(=O)N[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=O)c3cccc(OC)c3)[C@H]2O)[C@@H]1O
Systematic name  (3)：
  • ビス[3-(3-メトキシベンゾイルアミノ)-3-デオキシ-β-D-ガラクトピラノシル]スルフィド
  • N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5R,6R)-3,5-ジヒドロキシ-6-(ヒドロキシメチル)-4-(3-メトキシベンズアミド)オキサン-2-イル]スルファニル}-3,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-4-イル]-3-メトキシベンズアミド
  • N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(3-methoxybenzamido)oxan-2-yl]sulfanyl}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]-3-methoxybenzamide
Other name (1)：
  • Bis[3-(3-methoxybenzoylamino)-3-deoxy-β-D-galactopyranosyl] sulfide
Thsaurus map：
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