Basic information
- CAS
95416-28-7- Standard SMILES
C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O- InChIKey
VSIHHBNDSTWADL-VIPUEIHRSA-N- Molecular formula
- C42H73N13O10
- Average molar mass
- 920.1 g/mol
- Monoisotopic mass
- 919.56033558
Overview
nonapeptide substrate for histone kinase II
Names & identifiers
- Preferred name
- Alanyl-alanyl-alanyl-seryl-phenylalanyl-lysyl-alanyl-lysyl-lysinamide
- IUPAC
- (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanamide
- English name
- alanyl-alanyl-alanyl-seryl-phenylalanyl-lysyl-alanyl-lysyl-lysinamide
- Molecular formula
- C42H73N13O10
- Molecular weight
- 0
Names & synonyms
Aaasplall95416-28-7Alanyl-alanyl-alanyl-seryl-phenylalanyl-lysyl-alanyl-lysyl-lysinamideAla-ala-ala-ser-phe-lys-ala-lys-lys-NH2DTXSID10241826RefChem:110491DTXCID40164317Ala-Ala-Ala-Ser-Phe-Lys-Ala-Lys-Lys-amideL-Alanyl-L-alanyl-L-alanyl-L-seryl-L-phenylalanyl-L-lysyl-L-alanyl-L-lysyl-L-lysinamide(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanamide
Database identifiers
- CAS
95416-28-7- PubChem CID
- 5486932
- DTXSID
DTXSID10241826
Properties
Computed structural properties
- XLogP
- -3.6
- Topological polar surface area
- 400 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 32
- Heavy atoms
- 65
- Formal charge
- 0
- Complexity
- 1,550
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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