Chem
J-GLOBAL ID：200907020407841213   Nikkaji number：J60.514J

NSC-65104

セプタシジン
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： C30H51N7O7
Molecular formula furigana： C30-H51-N7-O7
Molecular weight： 621.780
InChI： InChI=1S/C30H51N7O7/c1-19(2)13-11-9-7-5-3-4-6-8-10-12-14-21(40)31-15-22(41)36-23-25(42)26(43)30(44-27(23)20(39)16-38)37-29-24-28(33-17-32-24)34-18-35-29/h17-20,23,25-27,30,38-39,42-43H,3-16H2,1-2H3,(H,31,40)(H,36,41)(H2,32,33,34,35,37)/t20-,23+,25+,26-,27-,30+/m0/s1
InChI key： YBZRLMLGUBIIDN-JGZQMPOASA-N
SMILES： CC(C)CCCCCCCCCCCCC(=O)NCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@H](Nc2[nH]cnc3ncnc23)O[C@H]1[C@@H](O)CO
Systematic name  (3)：
  • N-(1H-プリン-6-イル)-4-[[[(14-メチル-1-オキソペンタデシル)アミノ]アセチル]アミノ]-4-デオキシ-β-L-glycero-L-gluco-ヘプトピラノシルアミン
  • N-({[(2R,3R,4R,5S,6R)-2-[(1S)-1,2-ジヒドロキシエチル]-4,5-ジヒドロキシ-6-[(1H-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)-14-メチルペンタデカンアミド
  • N-({[(2R,3R,4R,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-6-[(1H-purin-6-yl)amino]oxan-3-yl]carbamoyl}methyl)-14-methylpentadecanamide
Other name (4)：
  • セプタシジン
  • NSC-65104
  • Septacidin
  • N-(1H-Purin-6-yl)-4-[[[(14-methyl-1-oxopentadecyl)amino]acetyl]amino]-4-deoxy-β-L-glycero-L-gluco-heptopyranosylamine
CAS registry number： 62362-59-8
Regulation number (1)：
  • MJ9850000
KEGG COMPOUND： C15754
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