(2S)-5-[[(E)-N'-nitrocarbamimidoyl]amino]-2-(phenylmethoxycarbonylamino)pentanoic acid
Basic information
- CAS
2304-98-5- Standard SMILES
N/C(=N\[N+](=O)[O-])NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O- InChIKey
BZPCSFNCKORLQG-NSHDSACASA-N- Molecular formula
- C14H19N5O6
- Average molar mass
- 353.33 g/mol
- Monoisotopic mass
- 353.13353334
Names & identifiers
- Preferred name
- (2S)-5-[[(E)-N'-nitrocarbamimidoyl]amino]-2-(phenylmethoxycarbonylamino)pentanoic acid
- IUPAC
- (2S)-5-[[(E)-N'-nitrocarbamimidoyl]amino]-2-(phenylmethoxycarbonylamino)pentanoic acid
- English name
- Z-Arg(NO2)-OH
- Molecular formula
- C14H19N5O6
- Molecular weight
- 353.33
Names & synonyms
Z-Arg(NOZ-Arg (NO2)Z-Arg(NO2)-OHZ-Arg(NO?)-OHCBZ-ARG(NO2)-OHZ-L-ARG(NO2)-OHCbz-L-Arg(NO2)-OHZ-(NITRO)-ARGININEZ-ARGININE(NO2)-OHZ-Arg(NO2)-OH, ≥98%
Database identifiers
- CAS
2304-98-5- PubChem CID
- 175666819
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 487
Physicochemical properties
- Melting point
- 130 · 130-132 °C (dec.)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Methanol (Sparingly)
- pka
- 3.84 · 3.84±0.50(Predicted)
- form
- Solid
- color
- White to Off-White
- CAS DataBase Reference
- 2304 · 2304-98-5
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280-P305+P351+P338
- RIDADR
- 1325 · UN1325
- WGK Germany
- 3 · 3
- F
- 10 · 10-21
- HazardClass
- 4.1 · 4.1
- Limited Quantities
- 5 Kg · 5.0 Kg (11 lbs) (solid)
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
- F
- 10-21
- wgk
- 3
- ridadr
- UN1325
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 4.1
- Hazard statements
- H302-H317
- Limited Quantities
- 5.0 Kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesZ-Arg(NO2)-OH, is a building block used in peptide chemistry.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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