2,4,6-Trinitrophenyl-tyrosyl-valyl-glycine
Basic information
- CAS
114043-34-4- Standard SMILES
CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)NCC(=O)O- InChIKey
WIHLYNPLPOZMMA-BEFAXECRSA-N- Molecular formula
- C22H24N6O11
- Average molar mass
- 548.5 g/mol
- Monoisotopic mass
- 548.1503056
Overview
substrate for both pituitary and chromaffin granule PAM
Names & identifiers
- Preferred name
- 2,4,6-Trinitrophenyl-tyrosyl-valyl-glycine
- IUPAC
- 2-[[(2S)-2-[[(2R)-3-(4-hydroxyphenyl)-2-(2,4,6-trinitroanilino)propanoyl]amino]-3-methylbutanoyl]amino]acetic acid
- English name
- 2,4,6-trinitrophenyl-tyrosyl-valyl-glycine
- Molecular formula
- C22H24N6O11
- Molecular weight
- 548.46
Names & synonyms
Tnp-tyr-val-gly2,4,6-Trinitrophenyl-tyrosyl-valyl-glycine114043-34-4RefChem:821652-[[(2S)-2-[[(2R)-3-(4-hydroxyphenyl)-2-(2,4,6-trinitroanilino)propanoyl]amino]-3-methylbutanoyl]amino]acetic acidDTXSID40921265N-(1-Hydroxy-2-{[1-hydroxy-3-(4-hydroxyphenyl)-2-(2,4,6-trinitroanilino)propylidene]amino}-3-methylbutylidene)glycineN-[(2S)-1-Hydroxy-2-{[(2R)-1-hydroxy-3-(4-hydroxyphenyl)-2-(2,4,6-trinitroanilino)propylidene]amino}-3-methylbutylidene]glycineGlycine, N-(2,4,6-trinitrophenyl)-D-tyrosyl-L-valyl- (9CI)
Database identifiers
- CAS
114043-34-4- PubChem CID
- 195053
- DTXSID
DTXSID40921265- Nikkaji
- J1.556.860G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 265 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 899
Physicochemical properties
- Boiling point
- 922.726 · 922.726±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.525 · 1.525±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.317 · 3.317±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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