Compound Q&A
What are the physical and chemical properties of (2S,3aR,7aS)-1-[(2S)-2-{[(1S)-1-Carboxy-3-phenylpropyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid (CAS: 87679-71-8)?
Answer
![(2S,3aR,7aS)-1-[(2S)-2-{[(1S)-1-Carboxy-3-phenylpropyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid (non-preferred name)](https://static.chemtradehub.com/structs/876/87679-71-8-64cd.webp "(2S,3aR,7aS)-1-[(2S)-2-{[(1S)-1-Carboxy-3-phenylpropyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid (non-preferred name)")
This compound exists as a crystalline solid with a molecular weight of approximately 448.44 g/mol. It has a pKa of around 7.5. The compound is slightly soluble in water and has good solubility in polar solvents such as methanol and DMSO. It exhibits moderate reactivity towards nucleophiles and has a high affinity for binding to specific receptors, making it interesting for potential pharmaceutical applications.
About
CAS No
87679-71-8
English Name
(2S,3aR,7aS)-1-[(2S)-2-{[(1S)-1-Carboxy-3-phenylpropyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid (non-preferred name)
Molecular Formula
C22H30N2O5
Molecular Weight
420.51 g/mol
SMILES
C[C@@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)N[C@H](C(=O)O)CCc1ccccc1.O
InChIKey
AHYHTSYNOHNUSH-HXFGRODQSA-N
Last Updated: 2025-11-07 19:01
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