Chem
J-GLOBAL ID：201307089655001461   Nikkaji number：J3.125.934G

N-Propylsinefungin

N-プロピルシネフンギン
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： C18H29N7O5
Molecular formula furigana： C18-H29-N7-O5
Molecular weight： 423.474
InChI： InChI=1S/C18H29N7O5/c1-2-5-21-9(3-4-10(19)18(28)29)6-11-13(26)14(27)17(30-11)25-8-24-12-15(20)22-7-23-16(12)25/h7-11,13-14,17,21,26-27H,2-6,19H2,1H3,(H,28,29)(H2,20,22,23)/t9-,10-,11+,13+,14+,17+/m0/s1
InChI key： ZDIZXAAADLAUDS-GTAFEMJLSA-N
SMILES： CCCN[C@@H](CC[C@H](N)C(=O)O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Systematic name  (3)：
  • (2S,5S)-5-(5′-アデノシル)-2-アミノ-5-(プロピルアミノ)ペンタン酸
  • (2S,5S)-2-アミノ-6-[(2R,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-3,4-ジヒドロキシオキソラン-2-イル]-5-(プロピルアミノ)ヘキサン酸
  • (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]-5-(propylamino)hexanoic acid
Other name (3)：
  • (2S,5S)-5-(5′-Adenosyl)-2-amino-5-(propylamino)pentanoic acid
  • N-Propylsinefungin
  • N-プロピルシネフンギン
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