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Basic information
- CAS
51926-51-3- Standard SMILES
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)O- InChIKey
OCYROESYHWUPBP-CIUDSAMLSA-N- Molecular formula
- C11H20N2O3
- Average molar mass
- 228.29 g/mol
Overview
Pro-Ile is a dipeptide formed from L-proline and L-isoleucine residues. It has a role as a metabolite.
Names & identifiers
- Preferred name
- Pro-Ile
- IUPAC
- (2S,3S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
Names & synonyms
51926-51-3l-prolyl-l-isoleucinePro-ileL-Pro-L-IleCHEBI:74790DTXSID20874265RefChem:176060DTXCID601012395NOCAS_874265H-Pro-Ile-OHProlyl-isoleucineH-Pro-Ile
Show more names
(2S,3S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acidAKOS010420273(2S,3S)-3-Methyl-2-((S)-pyrrolidine-2-carboxamido)pentanoic acidl-prolylisoleucineMFCD00037868(2S,3S)-3-methyl-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]pentanoateCHEMBL55967orb1695605
Database identifiers
- CAS
51926-51-3- PubChem CID
- 7079601
- ChEMBL
CHEMBL55967- ChEBI
CHEBI:74790- Nikkaji
- J149.650F
Properties
Computed structural propertiesFilling in
- XLogP
- -2.6
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 268
Related reactions
2 records
Compound notes
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