2-[[2-[(2-Amino-3-methylbutanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoic acid
Basic information
- CAS
17355-22-5- Standard SMILES
CC(C)C(N)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C(=O)O)C(C)C- InChIKey
ZNGPROMGGGFOAA-UHFFFAOYSA-N- Molecular formula
- C19H29N3O5
- Average molar mass
- 379.5 g/mol
- Monoisotopic mass
- 379.21072103
Names & identifiers
- Preferred name
- 2-[[2-[(2-Amino-3-methylbutanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoic acid
- IUPAC
- 2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoic acid
- English name
- Val-Tyr-Val
- Molecular formula
- C19H29N3O5
- Molecular weight
- 379.45
Names & synonyms
NSC3399222-[[2-[(2-amino-3-methylbutanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoic acidH-Val-Tyr-Val-OHVal-Tyr-Val-OHValine, valyltyrosyl-Val-Tyr-Val, crystallineL-Valine,l-valyl-L-tyrosyl-SCHEMBL29350566NSC-3399222-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoic acidDA-75167FV109481
Show more names
NSC 339922Val-Tyr-ValH-VAL-TYR-VALL-VAL-TYR-VALTripeptide-2 NOValyltyrosylvalineEntecavir Impurity 134Val-Tyr-Val crystallineH-Val-Tyr-Val crystalline
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoic acid
Database identifiers
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 515
Physicochemical properties
- Boiling point
- 708 · 708.0±60.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Methanol (Slightly)
- form
- crystalline
- pka
- 3.31 · 3.31±0.10(Predicted)
- color
- off-white to tan
- InChI
- 1S/C19H29N3O5/c1-10(2)15(20)18(25)21-14(9-12-5-7-13(23)8-6-12)17(24)22-16(11(3)4)19(26)27/h5-8,10-11,14-16,23H,9,20H2,1-4H3,(H,21,25)(H,22,24)(H,26,27)
- InChIKey
- ZNGPROMGGGFOAA-UHFFFAOYSA-N
- SMILES
- CC(C)C(N)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C(C)C)C(O)=O
- UNSPSC Code
- 12352202 · 12352202
- NACRES
- 26 · NA.26
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesValyltyrosylvaline was used as an analyte in the study of incorporation of single-wall carbon nanotubes into an organic polymer monolithic stationary phase.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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