N-[(2S)-1-[12-aminododecyl-[(2S)-3-methyl-2-(pyridine-4-carbonylamino)butanoyl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-[(2S)-1-[12-aminododecyl-[(2S)-3-methyl-2-(pyridine-4-carbonylamino)butanoyl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide
• 化学式: C₃₄H₅₂N₆O₄
• 分子量: 608.8
• InChiKey: XNMNPJWKYVLUFA-KYJUHHDHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  44
• 可旋转键数：
  20
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  147
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• PROCESS FOR THE ENZYMATIC FORMATION OF AMIDE BONDS
  申请人：Evonik Degussa GmbH

  公开号：EP2914734A1

  公开（公告）日：2015-09-09
• [EN] PROCESS FOR THE ENZYMATIC FORMATION OF AMIDE BONDS<br/>[FR] PROCÉDÉ POUR LA FORMATION ENZYMATIQUE DE LIAISONS AMIDE
  申请人：EVONIK INDUSTRIES AG

  公开号：WO2014067746A1

  公开（公告）日：2014-05-08

  The present invention is concerned with processes for the enzymatic formation of amide bonds. More specifically the invention is concerned with the formation of amide bonds between amino acid esters acylated on the amino terminus to nicotinic acid or isonicotinic acid and amino compounds with the aid of proteases. The invention provides processes for amide formation employing amino acid esters, connected to nicotinoyl- or isonicotinoyl-groups via an amide bond on the amino terminus, that are more efficient than processes for amide formation employing amino acid esters carrying standard protecting groups such as benzoyl or Z on their amino terminus. In one aspect therefore, the present invention, further, relates to the protease mediated synthesis of organogellant compounds (OG) as depicted below wherein L is a linking moiety of molecular weight from 14 g/mol to 500 g/mol, one of X1, X2 is nitrogen and the other is carbon, and wherein R1 are sidechain substituents.