Glutamyl-glutamyl-phosphotyrosyl-alanyl-alanine
Basic information
- CAS
151957-35-6- Standard SMILES
C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O- InChIKey
PADRNAOGQQAXCU-IGISWZIWSA-N- Molecular formula
- C25H36N5O14P
- Average molar mass
- 661.6 g/mol
- Monoisotopic mass
- 661.19963784
Overview
used as a substrate for phophotyrosyl protein phosphatase
Names & identifiers
- Preferred name
- Glutamyl-glutamyl-phosphotyrosyl-alanyl-alanine
- IUPAC
- (4S)-4-amino-5-[[(2S)-4-carboxy-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-(4-phosphonooxyphenyl)propan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
- English name
- glutamyl-glutamyl-phosphotyrosyl-alanyl-alanine
- Molecular formula
- C25H36N5O14P
- Molecular weight
- 661.55
Names & synonyms
Eey(P)AAGlu-glu-tyr(P)-ala-alaGlutamyl-glutamyl-phosphotyrosyl-alanyl-alanine151957-35-6RefChem:143683L-Alanine, N-(N-(N-(N-L-alpha-glutamyl-L-alpha-glutamyl)-O-phosphono-L-tyrosyl)-L-alanyl)-DTXSID10934387(4S)-4-amino-5-[[(2S)-4-carboxy-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-(4-phosphonooxyphenyl)propan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid(4S)-4-Amino-5-{[(2S)-4-carboxy-1-({(2S)-1-{[(2S)-1-{[(1S)-1-carboxyethyl]imino}-1-hydroxypropan-2-yl]imino}-1-hydroxy-3-[4-(phosphonooxy)phenyl]propan-2-yl}imino)-1-hydroxybutan-2-yl]imino}-5-hydroxypentanoic acid4-Amino-5-{[4-carboxy-1-({1-({1-[(1-carboxyethyl)imino]-1-hydroxypropan-2-yl}imino)-1-hydroxy-3-[4-(phosphonooxy)phenyl]propan-2-yl}imino)-1-hydroxybutan-2-yl]imino}-5-hydroxypentanoic acidL-Alanine, N-[N-[N-(N-L-α-glutamyl-L-α-glutamyl)-O-phosphono-L-tyrosyl]-L-alanyl]- (9CI)
Database identifiers
- CAS
151957-35-6
Properties
Computed structural properties
- XLogP
- -5.1
- Topological polar surface area
- 321 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 19
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,140
Physicochemical properties
- Density
- 1.494 · 1.494±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.268 · 1.268±0.30(predicted)
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Compound notes
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