147664-63-9 (培西加南Pexiganan,L-Lysinamide,glycyl-L-isoleucylglycyl-L-lysyl-L-phenylalanyl-L-leucyl-L-lysyl-L-lysyl-L-alanyl-L-lysyl-L-lysyl-L-phenylalanylglycyl-L-lysyl-L-alanyl-L-phenylalanyl-L-valyl-L-lysyl-L-isoleucyl-L-leucyl-L-lysyl-)

CAS号:
147664-63-9
中文名称:
培西加南Pexiganan
英文名称:
L-Lysinamide,glycyl-L-isoleucylglycyl-L-lysyl-L-phenylalanyl-L-leucyl-L-lysyl-L-lysyl-L-alanyl-L-lysyl-L-lysyl-L-phenylalanylglycyl-L-lysyl-L-alanyl-L-phenylalanyl-L-valyl-L-lysyl-L-isoleucyl-L-leucyl-L-lysyl-
分子式:
C122H210N32O22
分子量:
2477.17402791977

培西加南Pexiganan(147664-63-9)名称与标识符

名称

中文别名:
Pexiganan acetate 培西加南;培西加南;培西加南Pexiganan;醋酸培西加南;
英文别名:
L-Lysinamide,glycyl-L-isoleucylglycyl-L-lysyl-L-phenylalanyl-L-leucyl-L-lysyl-L-lysyl-L-alanyl-L-lysyl-L-lysyl-L-phenylalanylglycyl-L-lysyl-L-alanyl-L-phenylalanyl-L-valyl-L-lysyl-L-isoleucyl-L-leucyl-L-lysyl-;L-Lysinamide,glycyl-L-isoleucylglycyl-L-lysyl-L-phenylalanyl-L-leucyl-L-lysyl-L-lysyl-L-alanyl...;L-Lysinamide,glycyl-L-isoleucylglycyl-L-lysyl-L-phenylalanyl-L-leucyl-L-lysyl-L-lysyl-L-alanyl-L-lysyl-L-lysyl-L-phenylalanyl;L-Lysinamide,glycyl-L-isoleucylglycyl-L-lysyl-L-phenylalanyl-L-leucyl-L-lysyl-L-lysyl-L-alanyl-L-lysyl-L-lysyl-L-phenylalanylglycyl-L-lysyl-L-alanyl-L-phenylalanyl-L-valyl-L-lysyl-L-isoleucyl-L-leucyl;Pexiganan;Pexiganan Acetate;Glycyl-L-isoleucylglycyl-L-lysyl-L-phenylalanyl-L-leucyl-L-lysyl-L-lysyl-L-alanyl-L-lysyl-L-lysyl-L-phenylalanylglycyl-L-lysyl-L-alanyl-L-phenylalanyl-L-valyl-L-lysyl-L-isoleucyl-L-leucyl-L-lysyl-L-lysinamide;L-Lysinamide, glycyl-L-isoleucylglycyl-L-lysyl-L-phenylalanyl-L-leucyl-L-lysyl-L-lysyl-L-alanyl-L-lysyl;Magainin I, 7-L-lysine-8-L-lysine-10-L-lysine-18-L-lysine-19-de-L-glutamic acid-21-L-leucine-23-L-lysinamide;Pexiganan [INN];CHEMBL1275802;L-Lysinamide, glycyl-L-isoleucylglycyl-L-lysyl-L-phenylalanyl-L-leucyl-L-lysyl-L-lysyl-L-alanyl-L-lysyl-L-lysyl-L-phenylalanylglycyl-L-lysyl-L-alanyl-L-phenylaalanyl-L-valyl-L-lysyl-L-isoleucyl-L-leucyl-L-lysyl-;SCHEMBL476400;PEXIGANAN [MI];TVF29Q70Q1;EX-A7466;7-L-LYSINE-8-L-LYSINE-10-L-LYSINE-18-L-LYSINE-19-DE-L-GLUTAMIC ACID-21-L-LEUCINE-23-L-LYSINAMIDE MAGAININ I;GLY-ILE-GLY-LYS-PHE-LEU-LYS-LYS-ALA-LYS-LYS-PHE-GLY-LYS-ALA-PHE-VAL-LYS-ILE-LEU-LYS-LYS-NH2;147664-63-9;UNII-TVF29Q70Q1;

标识符

InChIKey:
KGZGFSNZWHMDGZ-KAYYGGFYSA-N
Inchi:
1S/C122H210N32O22/c1-13-77(9)102(152-98(155)71-132)120(174)135-73-100(157)139-86(50-26-35-59-125)110(164)150-96(69-82-44-20-16-21-45-82)118(172)148-93(66-74(3)4)116(170)145-90(54-30-39-63-129)113(167)142-87(51-27-36-60-126)109(163)137-79(11)105(159)141-88(52-28-37-61-127)112(166)143-91(55-31-40-64-130)114(168)149-95(68-81-42-18-15-19-43-81)107(161)134-72-99(156)138-85(49-25-34-58-124)108(162)136-80(12)106(160)147-97(70-83-46-22-17-23-47-83)119(173)153-101(76(7)8)121(175)146-92(56-32-41-65-131)115(169)154-103(78(10)14-2)122(176)151-94(67-75(5)6)117(171)144-89(53-29-38-62-128)111(165)140-84(104(133)158)48-24-33-57-123/h15-23,42-47,74-80,84-97,101-103H,13-14,24-41,48-73,123-132H2,1-12H3,(H2,133,158)(H,134,161)(H,135,174)(H,136,162)(H,137,163)(H,138,156)(H,139,157)(H,140,165)(H,141,159)(H,142,167)(H,143,166)(H,144,171)(H,145,170)(H,146,175)(H,147,160)(H,148,172)(H,149,168)(H,150,164)(H,151,176)(H,152,155)(H,153,173)(H,154,169)/t77-,78-,79-,80-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,101-,102-,103-/m0/s1
SMILES:
O=C([C@H]([C@@H](C)CC)NC([C@H](CCCCN)NC([C@H](C(C)C)NC([C@H](CC1C=CC=CC=1)NC([C@H](C)NC([C@H](CCCCN)NC(CNC([C@H](CC1C=CC=CC=1)NC([C@H](CCCCN)NC([C@H](CCCCN)NC([C@H](C)NC([C@H](CCCCN)NC([C@H](CCCCN)NC([C@H](CC(C)C)NC([C@H](CC1C=CC=CC=1)NC([C@H](CCCCN)NC(CNC([C@H]([C@@H](C)CC)NC(CN)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)N[C@H](C(N[C@H](C(N[C@H](C(N)=O)CCCCN)=O)CCCCN)=O)CC(C)C

培西加南Pexiganan(147664-63-9)物化性质

实验特性

  • LogP : 12.45450
  • PSA : 908.60000
  • 折射率 : 1.552
  • 沸点 : 2261.8°Cat760mmHg
  • 闪点 : 1321.7°C
  • 密度 : 1.18

计算特性

  • 精确分子量 : 2476.61000
  • 氢键供体数量 : 32
  • 氢键受体数量 : 32
  • 可旋转化学键数量 : 94
  • 同位素质量 : 2475.629747
  • 重原子数量 : 176
  • 复杂度 : 4940
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 21
  • 不确定原子立构中心数量 : 0
  • 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
  • 拓扑分子极性表面积 : 914

培西加南Pexiganan(147664-63-9)相关文献