Pro-Ile

HCID 7079601

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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

Related reactions

2 records

Compound notes

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