3-[2-[(Z)-[3-(2-羧基乙基)-5-[[(2R)-4-乙烯基-3-甲基-5-氧代-1,2-二氢吡咯-2-基]甲基]-4-甲基吡咯-2-亚基]甲基]-5-[[(2R)-3-乙基-4-甲基-5-氧代-1,2-二氢吡咯-2-基]甲基]-4-甲基-1H-吡咯-3-基]丙酸 | 3947-38-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 中文名称: 3-[2-[(Z)-[3-(2-羧基乙基)-5-[[(2R)-4-乙烯基-3-甲基-5-氧代-1,2-二氢吡咯-2-基]甲基]-4-甲基吡咯-2-亚基]甲基]-5-[[(2R)-3-乙基-4-甲基-5-氧代-1,2-二氢吡咯-2-基]甲基]-4-甲基-1H-吡咯-3-基]丙酸
• 英文名称: 1',8'-Dioxo-1,3,6,7-tetramethyl-2-ethyl-4,5-bis-(2-carboxy-ethyl)-8-vinyl-bilen b
• 英文别名: 3,3'-(3-ethyl-2,7,13,17-tetramethyl-1,19-dioxo-18-vinyl-1,4,5,15,16,19,22,24-octahydro-21H-biline-8,12-diyl)-bis-propionic acid；3-[2-[[3-(2-carboxyethyl)-5-[(3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methylpyrrol-3-yl]propanoic acid
• CAS: 3947-38-4
• 化学式: C₃₃H₄₀N₄O₆
• 分子量: 588.704
• InChiKey: DOKCNDVEPDZOJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  43
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  161
• 氢给体数：
  5
• 氢受体数：
  7

文献信息

• METHODS OF DIAGNOSING DISEASE
  申请人：4D Pharma Cork Limited

  公开号：EP3947743A1

  公开（公告）日：2022-02-09
• METABOLIC PROFILING WITH MAGNETIC RESONANCE MASS SPECTROMETRY (MRMS)
  申请人：Oregon Institute of Science and Medicine

  公开号：US20190391092A1

  公开（公告）日：2019-12-26

  A method for constructing a metabolic profile of a mammalian (such as a human) subject from one of more urine samples from the subject uses magnetic resonance mass spectrometry (MRMS) for the rapid and inexpensive quantitative measurement of at least 4,000 urinary chemical substances in a single analysis. The method for metabolic profiling measures thousands of urinary substances in a urine sample from a mammalian subject in a single assay. Many of these substances can be of mammalian metabolic origin. The measurements of types and amounts of urinary substances can be correlated to assessments of present or future health of the subject.
• [EN] METHODS OF DIAGNOSING DISEASE<br/>[FR] PROCÉDÉS DE DIAGNOSTIC D'UNE MALADIE
  申请人：4D PHARMA CORK LTD

  公开号：WO2020201457A1

  公开（公告）日：2020-10-08

  The application provides new and improved methods for diagnosing IBS.