5654-86-4 (3-异丁基-2,3,6,7,8,8a-六氢吡咯[1,2-a]吡嗪-1,4-二酮,Cyclo(leucyloprolyl))

CAS号:
5654-86-4
中文名称:
3-异丁基-2,3,6,7,8,8a-六氢吡咯[1,2-a]吡嗪-1,4-二酮
英文名称:
Cyclo(leucyloprolyl)
分子式:
C11H18N2O2
分子量:
210.272822856903

3-异丁基-2,3,6,7,8,8a-六氢吡咯[1,2-a]吡嗪-1,4-二酮(5654-86-4)名称与标识符

名称

英文别名:
Cyclo(Pro-Leu);3-Isobutyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione;3-Isobutylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione;cyclic dipeptide with proline;Cyclo(leucyloprolyl);Cyclo-Leu-Pro-diketopiperazine;Gancidin W;Cyclo-L-leu-L-pro;L,L-Cyclo(leucylprolyl);Cyclo(D-Leu-L-Pro);(3S-trans)-Hexahydro-3-isobutylpyrrolo(1,2-a)pyrazine-1,4-dione;L-cyclo(Leu-pro);Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-(2-methylpropyl)-;Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(2-methylpropyl)-;Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-isobutyl-, stereoisomer;L-cyclo(Leucyloprolyl);CYCLIC DIPEPTIDE WITH PROLINE ;;;cyclo(D)-Pro-(D)-Leu;cyclo(leucyl-prolyl);Cyclo(leucylprolyl);cyclo(prolyl-leucyl);Cyclo(Leu-Pro);CYCLO(-LEU-PRO);Cyclo(L-prolyl-L-leucyl);L-Leucyl-L-proline lactam;Maculosin 6;Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-(2-methylpropyl)-, (3S-trans)- (9CI);CS-0148997;5654-86-4;Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-(2-methylpropyl)-, (3S-trans)-;BRN 0085716;ACon0_000484;1-Hydroxy-3-(2-methylpropyl)-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-4(3H)-one;3-(2-methylpropyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione;Cyclo(proline-leucine);EINECS 220-710-6;5-24-07-00347 (Beilstein Handbook Reference);BRD-A04763029-001-01-1;DTXSID80951384;SZJNCZMRZAUNQT-UHFFFAOYSA-N;HY-N8743;Cyclo-L-prolyl-L-leucine;ACon1_000716;EN300-9434147;UNII-KQV8MY059B;KQV8MY059B;A876644;FS-6951;cyclo(Leu-Pro); Cyclo(L-leucyl-L-prolyl);3-(2-methylpropyl)-octahydropyrrolo[1,2-a]piperazine-1,4-dione;AKOS030530554;FT-0665321;NCGC00169428-01;SCHEMBL168687;Cyclo(Pro-Leu)Cyclo(leucyloprolyl); Cyclo(leucylprolyl); 3-(2-methylpropyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione;DTXSID40905040;CHEBI:228605;1ST15443;3-(2-METHYLPROPYL)-HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE;3-(2-methylpropyl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione;

标识符

MDL:
MFCD20526976
InChIKey:
SZJNCZMRZAUNQT-UHFFFAOYSA-N
Inchi:
1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)
SMILES:
O=C1C(CC(C)C)NC(C2CCCN21)=O
BRN:
0085716

3-异丁基-2,3,6,7,8,8a-六氢吡咯[1,2-a]吡嗪-1,4-二酮(5654-86-4)物化性质

实验特性

  • PSA : 49.41
  • 颜色与性状 : Powder

计算特性

  • 精确分子量 : 210.13694
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 2
  • 同位素质量 : 210.136827821g/mol
  • 重原子数量 : 15
  • 复杂度 : 288
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 2
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 1.1
  • 拓扑分子极性表面积 : 49.4

3-异丁基-2,3,6,7,8,8a-六氢吡咯[1,2-a]吡嗪-1,4-二酮(5654-86-4)国际标准相关数据

EINECS:
220-710-6

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