Ile-Pro
Basic information
- CAS
37462-92-3- Standard SMILES
CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)O- InChIKey
BBIXOODYWPFNDT-CIUDSAMLSA-N- Molecular formula
- C11H20N2O3
- Average molar mass
- 228.29 g/mol
- Monoisotopic mass
- 228.1473925
Overview
Ile-Pro is a dipeptide formed from L-isoleucine and L-proline residues. It has a role as a metabolite.
Names & identifiers
- Preferred name
- Ile-Pro
- IUPAC
- (2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
- English name
- H-Ile-Pro-OH
- Molecular formula
- C11H20N2O3
- Molecular weight
- 228.29
Names & synonyms
ile-proL-isoleucyl-L-prolineCHEBI:74076RefChem:1087168Isoleucyl-Proline37462-92-3H-Ile-Pro-OHL-Proline, L-isoleucyl-Isoleucylproline(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carboxylic acidMFCD02259535CHEMBL1807684
Show more names
(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carboxylicacid
L-Ile-L-ProSCHEMBL231857DTXSID70332168BDBM50348850AKOS010419475FI108080Q27144389(2S)-1-[(2S,3S)-2-amino-3-methyl-pentanoyl]pyrrolidine-2-carboxylic acid
Database identifiers
- CAS
37462-92-3- PubChem CID
- 444876
- DTXSID
DTXSID70332168- ChEMBL
CHEMBL1807684- ChEBI
CHEBI:74076- Nikkaji
- J608.440K
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 280
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 419.2 · 419.2±40.0 °C(Predicted)
- Density
- 1.178 · 1.178±0.06 g/cm3(Predicted)
- storage temp.
- -15 °C · -15°C
- pka
- 3.19 · 3.19±0.20(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: Ile-Pro is a dipeptide formed from L-isoleucine and L-proline residues. It has a role as a metabolite.
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