(2S,4R,5R)-5-amino-2-[(2R,3S,5S)-2-[(2S,4R,5R)-2-[(2R,3S)-4-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-methyloxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

• 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: (2S,4R,5R)-5-amino-2-[(2R,3S,5S)-2-[(2S,4R,5R)-2-[(2R,3S)-4-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-methyloxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
• 化学式: C₆₁H₁₀₅N₉O₂₇
• 分子量: 1396.5
• InChiKey: BFTFGAQQKGXLHJ-DABJGFCKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.6
• 重原子数：
  97
• 可旋转键数：
  33
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  562
• 氢给体数：
  19
• 氢受体数：
  28

文献信息

• CELL-BASED DETECTION OF APF THROUGH ITS INTERACTION WITH CKAP4 FOR DIAGNOSIS OF INTERSTITIAL CYSTITIS
  申请人：UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC.

  公开号：US20140193835A1

  公开（公告）日：2014-07-10

  An assay system designed to detect a protein biomarker in urine that is diagnostic for interstitial cystitis (IC). The presence of a 9 amino acid glycopeptide, antiproliferative factor (APF), in urine is unique to patients with IC. Urine samples from patients who exhibit symptoms consistent with IC are added to the assay system. Binding of APF to the cytoskeletal associated protein 4 (CKAP4) is positive for the presence of APF in urine and diagnostic for IC. The diagnostic system is a significant and surprising advance in diagnosis of IC and has commercial applications relevant to women and men who suffer from symptoms consistent with IC.
• US9075045B2
  申请人：——

  公开号：US9075045B2

  公开（公告）日：2015-07-07