Chem
J-GLOBAL ID:200907001970339422   Nikkaji number:J707.917F

N-[4-[[[[(2E,4E)-1-Oxo-2,4-dodecadienyl]amino]acetyl]amino]-4-deoxy-β-L-glycero-L-manno-heptopyranosyl]-9H-purin-6-amine

N-[4-[[[[(2E,4E)-1-オキソ-2,4-ドデカジエニル]アミノ]アセチル]アミノ]-4-デオキシ-β-L-glycero-L-manno-ヘプトピラノシル]-9H-プリン-6-アミン
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: C26H39N7O7
Molecular formula furigana: C26-H39-N7-O7
Molecular weight: 561.640
InChI: InChI=1S/C26H39N7O7/c1-2-3-4-5-6-7-8-9-10-11-17(36)27-12-18(37)32-19-21(38)22(39)26(40-23(19)16(35)13-34)33-25-20-24(29-14-28-20)30-15-31-25/h8-11,14-16,19,21-23,26,34-35,38-39H,2-7,12-13H2,1H3,(H,27,36)(H,32,37)(H2,28,29,30,31,33)/b9-8+,11-10+/t16-,19+,21+,22+,23-,26-/m0/s1
InChI key: NBKMYBMOQYQUMF-LERCLNBSSA-N
SMILES: CCCCCCC/C=C/C=C/C(=O)NCC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](Nc2ncnc3[nH]cnc23)O[C@H]1[C@@H](O)CO
Systematic name  (3):
  • N-[4-[[[[(2E,4E)-1-オキソ-2,4-ドデカジエニル]アミノ]アセチル]アミノ]-4-デオキシ-β-L-glycero-L-manno-ヘプトピラノシル]-9H-プリン-6-アミン
  • (2E,4E)-N-({[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-ジヒドロキシエチル]-4,5-ジヒドロキシ-6-[(9H-プリン-6-イル)アミノ]オキサン-3-イル]カルバモイル}メチル)ドデカ-2,4-ジエンアミド
  • (2E,4E)-N-({[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-6-[(9H-purin-6-yl)amino]oxan-3-yl]carbamoyl}methyl)dodeca-2,4-dienamide
Other name (1):
  • N-[4-[[[[(2E,4E)-1-Oxo-2,4-dodecadienyl]amino]acetyl]amino]-4-deoxy-β-L-glycero-L-manno-heptopyranosyl]-9H-purin-6-amine
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