Enkephalin-met, ala(2)-4-azido-phe(4)-
Basic information
- CAS
98749-66-7- Standard SMILES
CSCCC(NC(=O)[C@H](Cc1ccc(N=[N+]=[N-])cc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O- InChIKey
KVSQOVKONQTTBT-KSQRMEKGSA-N- Molecular formula
- C28H36N8O7S
- Average molar mass
- 628.7 g/mol
- Monoisotopic mass
- 628.24276669
Overview
photoreactive
Names & identifiers
- Preferred name
- Enkephalin-met, ala(2)-4-azido-phe(4)-
- IUPAC
- 2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-(4-azidophenyl)propanoyl]amino]-4-methylsulfanylbutanoic acid
- English name
- 2-Ala-4-(4-azido-phe)-met-enkephalin
- Molecular formula
- C28H36N8O7S
- Molecular weight
- 628.7
Names & synonyms
MEAZP2-Ala-4-(4-azido-phe)-met-enkephalinEnkephalin-met, ala(2)-4-azido-phe(4)-Met-enkephalin, ala(2)-4-azido-phe(4)-98749-66-7Methionine-enkephalin, ala(2)-4-azido-phe(4)-Enkephalin-met, alanyl(2)-4-azidophenylalanine(4)-RefChem:136905DTXSID80913104N-[(2S)-2-[(2-{[(2R)-2-{[(2S)-2-Amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-1-hydroxypropylidene]amino}-1-hydroxyethylidene)amino]-3-(4-azidophenyl)-1-hydroxypropylidene]methionineN-[2-({2-[(2-{[2-Amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-1-hydroxypropylidene)amino]-1-hydroxyethylidene}amino)-3-(4-azidophenyl)-1-hydroxypropylidene]methionine2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-(4-azidophenyl)propanoyl]amino]-4-methylsulfanylbutanoic acid
Database identifiers
- CAS
98749-66-7- PubChem CID
- 5487046
- DTXSID
DTXSID80913104
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 240 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 17
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,030
Physicochemical properties
- pka
- 3.186 · 3.186±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…