o-Nitrophenylsulfenyl-lysyl-tryptophan
Basic information
- CAS
103088-69-3- Standard SMILES
NCCCC[C@H](N)C(=O)N[C@@H](Cc1c(Sc2ccccc2[N+](=O)[O-])[nH]c2ccccc12)C(=O)O- InChIKey
CHVWOPBJBLZQTR-WMZOPIPTSA-N- Molecular formula
- C23H27N5O5S
- Average molar mass
- 485.6 g/mol
- Monoisotopic mass
- 485.17329015
Overview
location of nitrophenylsulfenyl ligand is ambiguous
Names & identifiers
- Preferred name
- o-Nitrophenylsulfenyl-lysyl-tryptophan
- IUPAC
- (2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-[2-(2-nitrophenyl)sulfanyl-1H-indol-3-yl]propanoic acid
- English name
- o-nitrophenylsulfenyl-lysyl-tryptophan
- Molecular formula
- C23H27N5O5S
- Molecular weight
- 485.56
Names & synonyms
o-Nitrophenylsulfenyl-lysyl-tryptophanNps-lys-trp103088-69-32-Nitrophenylsulfenyl-lys-trpo-Nitrophenylsulfenyl-lys-trpLysyl-2-((10-nitrophenyl)sulfenyl) tryptophanRefChem:167282(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-[2-(2-nitrophenyl)sulfanyl-1H-indol-3-yl]propanoic acidorb1985514DTXSID10908189AKOS040753373T33801
Show more names
L-Tryptophan, N-L-lysyl-2-[(2-nitrophenyl)thio]- (9CI)
N-(2,6-Diamino-1-hydroxyhexylidene)-2-[(2-nitrophenyl)sulfanyl]tryptophanN-[(2S)-2,6-Diamino-1-hydroxyhexylidene]-2-[(2-nitrophenyl)sulfanyl]-L-tryptophan
Database identifiers
- CAS
103088-69-3- PubChem CID
- 128253
- DTXSID
DTXSID10908189
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 205 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 708
Physicochemical properties
- Boiling point
- 777.1 · 777.1±60.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 3.01 · 3.01±0.10(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…