Chem
J-GLOBAL ID：200907057776379214   Nikkaji number：J366.795B

JSTX-3

JSTX-3
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： C27H47N7O6
Molecular formula furigana： C27-H47-N7-O6
Molecular weight： 565.716
InChI： InChI=1S/C27H47N7O6/c28-10-6-13-30-11-4-5-12-31-16-9-25(38)32-14-2-1-3-15-33-27(40)22(19-24(29)37)34-26(39)17-20-7-8-21(35)18-23(20)36/h7-8,18,22,30-31,35-36H,1-6,9-17,19,28H2,(H2,29,37)(H,32,38)(H,33,40)(H,34,39)/t22-/m0/s1
InChI key： SJLRBGDPTALRDM-QFIPXVFZSA-N
SMILES： NCCCNCCCCNCCC(=O)NCCCCCNC(=O)[C@H](CC(=O)N)NC(=O)Cc1ccc(O)cc1O
Systematic name  (4)：
  • (S)-N-[5-[[3-[[4-[(3-アミノプロピル)アミノ]ブチル]アミノ]プロピオニル]アミノ]ペンチル]-2-[[(2,4-ジヒドロキシフェニル)アセチル]アミノ]スクシンアミド
  • N-[5-[3-[4-(3-アミノプロピルアミノ)ブチルアミノ]プロピオニルアミノ]ペンチル]-Nα-(2,4-ジヒドロキシフェニルアセチル)アスパラギンアミド
  • (2S)-N-{5-[3-({4-[(3-アミノプロピル)アミノ]ブチル}アミノ)プロパンアミド]ペンチル}-2-[2-(2,4-ジヒドロキシフェニル)アセトアミド]ブタンジアミド
  • (2S)-N-{5-[3-({4-[(3-aminopropyl)amino]butyl}amino)propanamido]pentyl}-2-[2-(2,4-dihydroxyphenyl)acetamido]butanediamide
Other name (3)：
  • JSTX-3
  • (S)-N-[5-[[3-[[4-[(3-Aminopropyl)amino]butyl]amino]propionyl]amino]pentyl]-2-[[(2,4-dihydroxyphenyl)acetyl]amino]succinamide
  • N-[5-[3-[4-(3-Aminopropylamino)butylamino]propionylamino]pentyl]-Nα-(2,4-dihydroxyphenylacetyl)asparaginamide
CAS registry number： 112163-33-4
KEGG COMPOUND： C13931
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