Basic information
- CAS
80063-35-0- Standard SMILES
CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O- InChIKey
OUHIADSAIHBLFR-CQJMVLFOSA-N- Molecular formula
- C34H46N6O10S
- Average molar mass
- 730.8 g/mol
- Monoisotopic mass
- 730.29961286
Overview
has N-terminal glycine
Names & identifiers
- Preferred name
- rat gastrin C-terminal pentagastrin
- IUPAC
- (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
- English name
- rat gastrin C-terminal pentagastrin
- Molecular formula
- C34H46N6O10S
- Molecular weight
- 730.83
Names & synonyms
Rat gastrin C-terminal pentagastrinC-T Pentagastrin80063-35-0L-Phenylalaninamide, N-((1,1-dimethylethoxy)carbonyl)glycyl-L-tyrosyl-L-methionyl-L-alpha-aspartyl-RefChem:178650DTXSID701000953(9S,12S,15S)-4,7,10,13-Tetrahydroxy-15-(hydroxy{[(2S)-1-hydroxy-1-imino-3-phenylpropan-2-yl]imino}methyl)-9-[(4-hydroxyphenyl)methyl]-2,2-dimethyl-12-[2-(methylsulfanyl)ethyl]-3-oxa-5,8,11,14-tetraazaheptadeca-4,7,10,13-tetraen-17-oic acid4,7,10,13-Tetrahydroxy-15-{hydroxy[(1-hydroxy-1-imino-3-phenylpropan-2-yl)imino]methyl}-9-[(4-hydroxyphenyl)methyl]-2,2-dimethyl-12-[2-(methylsulfanyl)ethyl]-3-oxa-5,8,11,14-tetraazaheptadeca-4,7,10,13-tetraen-17-oic acidL-Phenylalaninamide, N-[(1,1-dimethylethoxy)carbonyl]glycyl-L-tyrosyl-L-methionyl-L-α-aspartyl- (9CI)
Database identifiers
- CAS
80063-35-0- PubChem CID
- 196149
- DTXSID
DTXSID701000953
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 281 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 21
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,200
Physicochemical properties
- Boiling point
- 1161 · 1161.0±65.0 °C(Predicted)
- Density
- 1.308 · 1.308±0.06 g/cm3(Predicted)
- pka
- 4.19 · 4.19±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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