Basic information
- CAS
19245-87-5- Standard SMILES
CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O- InChIKey
MJZMSEWWBGCBFM-WHFBIAKZSA-N- Molecular formula
- C8H14N2O4
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.09535693
Overview
RN given refers to (D)-isomer
Names & identifiers
- Preferred name
- Acetylalanylalanine
- IUPAC
- (2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoic acid
- English name
- N-Acetyl-D-Ala-D-Ala
- Molecular formula
- C8H14N2O4
- Molecular weight
- 202.21
Names & synonyms
AcetylalanylalanineAc-D-Ala-D-alaAcetyl-ala-ala19993-26-1Acetyl-D-alanyl-D-alanineDTXSID40173808N-acetyl-alanyl-alanineRefChem:914988DTXCID809629919245-87-5AC-ALA-ALA-OHacetyl-l-alanyl-l-alanine
Show more names
Ac-D-Ala-D-Ala-OHN-Acetyl-D-Ala-D-AlaN-Acetyl-D-alanyl-D-alanineD-Alanine, N-acetyl-D-alanyl-N-ACETYL-D-ALA-D-ALA USP/EP/BP(2R)-2-[(2R)-2-acetamidopropanamido]propanoic acid
(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoic acidMFCD00080977(2S)-2-[(2S)-2-ACETAMIDOPROPANAMIDO]PROPANOIC ACIDN-acetylalanylalanineL-Alanine, N-acetyl-L-alanyl-Ac-Ala-Alan-acetyl-l-alanyl-l-alanineN-ACETYL-L-ALA-L-ALA
Database identifiers
- CAS
19245-87-5、19993-26-1- PubChem CID
- 5488264
- DTXSID
DTXSID40173808- ChEMBL
CHEMBL2372592
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Melting point
- 85 · 85-90°C
- Boiling point
- 543.571 · 543.571±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.205 · 1.205±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- Methanol (Slightly), Water (Slightly, Sonicated)
- pka
- 3.442 · 3.442±0.10(predicted)
- form
- Solid
- color
- White to Off-White
- Stability
- Hygroscopic
Chemistry & industry
Applications
UsesN-Acetyl-D-alanyl-D-alanine was used as the target in the target-accelerated combinatorial synthesis of vancomycin dimers. D-Ala-D-Ala possess the greatest affinity for vancomycin. Vancomycin and N-Acetyl-D-alanyl-D-alanine are used as a model system to demonstrate the use of affinity capillary eletrophoresis.
Upstream & downstream products
Upstream raw materials
Suppliers32 total
江苏吉泰肽业科技有限公司18936337900 18936337900 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海鸿肽生物科技有限公司15318089928 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [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]
吉尔生化（玉门）有限公司18221406464 18221406464;13236395639 · [email protected]
杭州专肽生物技术有限公司17342063383 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…