Basic information
- CAS
51926-51-3- Standard SMILES
CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)O- InChIKey
OCYROESYHWUPBP-VGMNWLOBSA-N- Molecular formula
- C11H20N2O3
- Average molar mass
- 228.29 g/mol
- Monoisotopic mass
- 228.1473925
Overview
RN refers to (L)-isomer
Names & identifiers
- Preferred name
- Prolylisoleucine
- IUPAC
- (2S,3R)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
- English name
- H-Pro-Ile-OH
- Molecular formula
- C11H20N2O3
- Molecular weight
- 228.29
Names & synonyms
N-L-Prolyl-L-isoleucineRefChem:930027Prolylisoleucine(2S,3R)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acidL-Isoleucine, N-L-prolyl-CHEMBL328950L-PROLYL-L-ISOLEUCINEPRO-ILEH-Pro-Ile-OHL-Isoleucine, L-prolyl-(2S,3S)-3-Methyl-2-((S)-pyrrolidine-2-carboxamido)pentanoic acid
Database identifiers
- CAS
51926-51-3- PubChem CID
- 104014
- DTXSID
DTXSID50966248- ChEMBL
CHEMBL328950
Properties
Computed structural properties
- 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
Physicochemical properties
- Melting point
- 231 · 231-232 °C
- Boiling point
- 457.5 · 457.5±45.0 °C(Predicted)
- Density
- 1.126 · 1.126±0.06 g/cm3(Predicted)
- storage temp.
- -15 °C · -15°C
- solubility
- Aqueous Acid (Slightly), Water (Slightly)
- pka
- 3.56 · 3.56±0.22(Predicted)
- form
- Solid
- color
- White to Off-White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Chemistry & industry
Applications
UsesL-Prolyl-L-isoleucine can be useful in the study of combined effect of protein hydrolysis and Lactobacillus plantarum fermn. on antioxidant activity and metabolomic profiles of quinoa beverage.
Suppliers45 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海鸿肽生物科技有限公司15318089928 · [email protected]
成都傲飞生物化学品有限责任公司+86-028-60911900 13540204019 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
杭州思诺达医药科技有限责任公司0571-87213919 17306812703 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
常州希辰曦生物科技有限公司13961235446 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
太原百利恒康生物技术有限公司19135651983 · [email protected]
康明永瑞生物科技（苏州）有限公司17751201929; 17751201929 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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