Chem
J-GLOBAL ID：200907001518604950   Nikkaji number：J413.554G

APEC

APEC
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： C25H35N9O5
Molecular formula furigana： C25-H35-N9-O5
Molecular weight： 541.613
InChI： InChI=1S/C25H35N9O5/c1-2-28-23(38)20-18(36)19(37)24(39-20)34-13-31-17-21(27)32-25(33-22(17)34)30-11-9-15-5-3-14(4-6-15)7-8-16(35)29-12-10-26/h3-6,13,18-20,24,36-37H,2,7-12,26H2,1H3,(H,28,38)(H,29,35)(H3,27,30,32,33)/t18-,19+,20-,24+/m0/s1
InChI key： UXUFTKZYJYGMGO-CMCWBKRRSA-N
SMILES： CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)NCCN)cc3)nc12
Systematic name  (5)：
  • 2-[[4-[3-オキソ-3-[(2-アミノエチル)アミノ]プロピル]フェネチル]アミノ]-5′-オキソ-5′-(エチルアミノ)-5′-デオキシアデノシン
  • 2-[2-[4-[2-[(2-アミノエチル)アミノカルボニル]エチル]フェニル]エチルアミノ]-5′-デオキシ-5′-エチルアミノ-5′-オキソアデノシン
  • 2-[[2-[4-[2-[[(2-アミノエチル)アミノ]カルボニル]エチル]フェニル]エチル]アミノ]-5′-デオキシ-5′-オキソ-5′-(エチルアミノ)アデノシン
  • (2S,3S,4R,5R)-5-(6-アミノ-2-{[2-(4-{2-[(2-アミノエチル)カルバモイル]エチル}フェニル)エチル]アミノ}-9H-プリン-9-イル)-N-エチル-3,4-ジヒドロキシオキソラン-2-カルボキサミド
  • (2S,3S,4R,5R)-5-(6-amino-2-{[2-(4-{2-[(2-aminoethyl)carbamoyl]ethyl}phenyl)ethyl]amino}-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Other name (3)：
  • APEC
  • 2-[[2-[4-[2-[[(2-Aminoethyl)amino]carbonyl]ethyl]phenyl]ethyl]amino]-5′-deoxy-5′-oxo-5′-(ethylamino)adenosine
  • 2-[2-[4-[2-[(2-Aminoethyl)aminocarbonyl]ethyl]phenyl]ethylamino]-5′-deoxy-5′-ethylamino-5′-oxoadenosine
Thsaurus map：
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