Chem
J-GLOBAL ID：201707007229062112   Nikkaji number：J3.657.688J

Cyclo[Pro-Ala-Lys-Arg-]

シクロ[Pro-Ala-Lys-Arg-]
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： C20H36N8O4
Molecular formula furigana： C20-H36-N8-O4
Molecular weight： 452.560
InChI： InChI=1S/C20H36N8O4/c1-12-16(29)26-13(6-2-3-9-21)17(30)27-14(7-4-10-24-20(22)23)19(32)28-11-5-8-15(28)18(31)25-12/h12-15H,2-11,21H2,1H3,(H,25,31)(H,26,29)(H,27,30)(H4,22,23,24)/t12-,13-,14-,15-/m0/s1
InChI key： QMDXSAHMEWEMCZ-AJNGGQMLSA-N
SMILES： C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC1=O
Systematic name  (3)：
  • シクロ[Pro-Ala-Lys-Arg-]
  • N-{3-[(3S,6S,9S,14aS)-6-(4-アミノブチル)-3-メチル-1,4,7,10-テトラオキソ-テトラデカヒドロピロロ[1,2-a]1,4,7,10-テトラアザシクロドデカン-9-イル]プロピル}グアニジン
  • N-{3-[(3S,6S,9S,14aS)-6-(4-aminobutyl)-3-methyl-1,4,7,10-tetraoxo-tetradecahydropyrrolo[1,2-a]1,4,7,10-tetraazacyclododecan-9-yl]propyl}guanidine
Other name (1)：
  • Cyclo[Pro-Ala-Lys-Arg-]
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