Basic information
- CAS
3918-93-2- Standard SMILES
CC(C)C(N)C(=O)NC(C(=O)O)C(C)C- InChIKey
KRNYOVHEKOBTEF-UHFFFAOYSA-N- Molecular formula
- C10H20N2O3
- Average molar mass
- 216.28 g/mol
- Monoisotopic mass
- 216.1473925
Overview
Valyl-Valine is a dipeptide.
Names & identifiers
- Preferred name
- 2-[(2-Amino-3-methylbutanoyl)amino]-3-methylbutanoic acid
- IUPAC
- 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoic acid
- English name
- 2-(2-amino-3-methylbutanamido)-3-methylbutanoic acid
- Molecular formula
- C10H20N2O3
- Molecular weight
- 216.28
Names & synonyms
3918-93-2(S)-2-((S)-2-Amino-3-methylbutanamido)-3-methylbutanoic acidValine, valyl-2-[(2-amino-3-methyl-butanoyl)amino]-3-methyl-butanoic acidCHEMBL422892SCHEMBL45822852-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoic acidCHEBI:176461KRNYOVHEKOBTEF-UHFFFAOYSA-NDTXSID101369250N-(2-amino-3-methylbutanoyl)valineBDBM50085096
Show more names
2-(2-amino-3-methylbutanamido)-3-methylbutanoic acid
STL372909AKOS002075350AKOS021602376CCG-200007UNM0000008771012-(2-Amino-3-methyl-butyrylamino)-3-methyl-butyric acid (0.25H2O)VV
Database identifiers
- CAS
3918-93-2- PubChem CID
- 409682
- DTXSID
DTXSID101369250- ChEBI
CHEBI:176461
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Melting point
- 258 · 258-260 °C
- Boiling point
- 411.6 · 411.600±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.085 · 1.085±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.163 · 3.163±0.10(predicted)
Chemistry & industry
Suppliers3 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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