Compound Q&A
What are the physical and chemical properties of Benzyl (3S)-2-{N-[(2S)-1-ethoxy-1-oxo-4-phenyl-2-butanyl]-L-alanyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate (2Z)-2-butenedioate (1:1) (CAS: 82586-54-7)?
Answer
![Benzyl (3S)-2-{N-[(2S)-1-ethoxy-1-oxo-4-phenyl-2-butanyl]-L-alanyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate (2Z)-2-butenedioate (1:1)](https://static.chemtradehub.com/structs/825/82586-54-7-6819.webp "Benzyl (3S)-2-{N-[(2S)-1-ethoxy-1-oxo-4-phenyl-2-butanyl]-L-alanyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate (2Z)-2-butenedioate (1:1)")
The compound is a white crystalline solid with a molecular weight of approximately 632.6 g/mol. It is poorly soluble in water but soluble in organic solvents such as methanol and ethanol. The compound exhibits moderate reactivity, particularly towards nucleophiles and bases. It is stable under normal storage conditions but may decompose at high temperatures or in the presence of strong acids or bases.
About
CAS No
82586-54-7
English Name
Benzyl (3S)-2-{N-[(2S)-1-ethoxy-1-oxo-4-phenyl-2-butanyl]-L-alanyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate (2Z)-2-butenedioate (1:1)
Molecular Formula
C36H40N2O9
Molecular Weight
644.72 g/mol
SMILES
CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)OCC4=CC=CC=C4
InChIKey
YVLOIKSAYRUXIX-IZSITSNPSA-N
Last Updated: 2025-12-31 16:27
![Benzyl (3S)-2-{N-[(2S)-1-ethoxy-1-oxo-4-phenyl-2-butanyl]-L-alanyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate (2Z)-2-butenedioate (1:1) — Jin Jinle (Hunan) Chemical Co., Ltd.](https://static.chemtradehub.com/suppliers/67ce76192b2de6e8e95a464e/67ce76192b2de6e8e95a464e-logo.webp){kind=logo}