N-((Phenylmethoxy)carbonyl)-L-valyl-L-valine
Basic information
- CAS
19542-54-2- Standard SMILES
CC(C)[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)O- InChIKey
BAIDNIBSOZLYQU-GJZGRUSLSA-N- Molecular formula
- C18H26N2O5
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.18417193
Names & identifiers
- Preferred name
- N-((Phenylmethoxy)carbonyl)-L-valyl-L-valine
- IUPAC
- (2S)-3-methyl-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoic acid
- English name
- Z-Val-Val-OH
- Molecular formula
- C18H26N2O5
- Molecular weight
- 350.41
Names & synonyms
19542-54-2N-[(Phenylmethoxy)carbonyl]-L-valyl-L-valineN-((Phenylmethoxy)carbonyl)-L-valyl-L-valineRefChem:359750Z-Val-Val-OHValaciclovir Impurity 19MFCD00191172(2S)-3-methyl-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoic acid(S)-2-((S)-2-(((benzyloxy)carbonyl)amino)-3-methylbutanamido)-3-methylbutanoic acidCbz-Val-Val-OHValaciclovir Impurity 36SCHEMBL6272667
Show more names
Z-Val-ValCbz-Val-ValCbz-L-Val-Val-OHValine DipeptideZ-L-VALYL-L-VALINEValacyclovir Impurity 6Valacyclovir Impurity 27
19542-54-2(free base)DTXSID401258175Z-Val-Val-OH trifluoroacetic acidN-benzyloxycarbonyl-l-valyl-l-valineFV111533N-[(Benzyloxy)carbonyl]-L-valyl-L-valine(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoic acid
Database identifiers
- CAS
19542-54-2- PubChem CID
- 7019129
- DTXSID
DTXSID401258175- Nikkaji
- J293.793J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 458
Physicochemical properties
- Melting point
- 139.5 · 139.5-140 °C
- Boiling point
- 582.6 · 582.6±45.0 °C(Predicted)
- Density
- 1.161 · 1.161±0.06 g/cm3(Predicted)
- storage temp.
- -15 °C · -15°C
- pka
- 3.43 · 3.43±0.10(Predicted)
Chemistry & industry
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