Aspartyl-tyrosyl-phosphomethionyl-aspartyl-methionyl-lysine
Basic information
- CAS
158999-11-2- Standard SMILES
CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O- InChIKey
VKNZVOHPRCPQGO-OOPVGHQCSA-N- Molecular formula
- C33H52N7O15PS2
- Average molar mass
- 881.9 g/mol
- Monoisotopic mass
- 881.27004332
Overview
amino acid sequence given in first source; corresponds to the alpha-PDGFR (platelet-derived growth factor receptor) binding site for p85 subunit of phosphatidylinositol 3-kinase binding subunit
Names & identifiers
- Preferred name
- Aspartyl-tyrosyl-phosphomethionyl-aspartyl-methionyl-lysine
- IUPAC
- (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-carboxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoic acid
- English name
- aspartyl-tyrosyl-phosphomethionyl-aspartyl-methionyl-lysine
- Molecular formula
- C33H52N7O15PS2
- Molecular weight
- 881.91
Names & synonyms
Dypmdmk158999-11-2Aspartyl-tyrosyl-phosphomethionyl-aspartyl-methionyl-lysineAsp-tyr-pmet-asp-met-lysDTXSID50166549RefChem:114697DTXCID2089040(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-carboxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoic acidN2-(N-(N-(N-(N-L-alpha-aspartyl-O-phosphono-L-tyrosyl)-L-methionyl)-L-alpha-aspartyl)-L-methionyl)-L-lysineL-alpha-Aspartyl-O-phosphono-L-tyrosyl-L-methionyl-L-alpha-aspartyl-L-methionyl-L-lysineL-Lysine, N2-(N-(N-(N-(N-L-alpha-aspartyl-O-phosphono-L-tyrosyl)-L-methionyl)-L-alpha-aspartyl)-L-methionyl)-L-Lysine, N2-[N-[N-[N-(N-L-α-aspartyl-O-phosphono-L-tyrosyl)-L-methionyl]-L-α-aspartyl]-L-methionyl]- (9CI)
Database identifiers
- CAS
158999-11-2- PubChem CID
- 157807
Properties
Computed structural properties
- XLogP
- -7.3
- Topological polar surface area
- 427 Ų
- Hydrogen bond donors
- 12
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 29
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,450
Physicochemical properties
- Density
- 1.439 · 1.439±0.06 g/cm3(Predicted)
- pka
- 1.29 · 1.29±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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