Basic information
- CAS
122998-75-8- Standard SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C- InChIKey
WDYRRJKQWOQRLJ-HCWJCATPSA-N- Molecular formula
- C51H93N17O16S
- Average molar mass
- 1,232.5 g/mol
- Monoisotopic mass
- 1,231.67069112
Names & identifiers
- Preferred name
- Cholecystokinin 33 (10-20)
- IUPAC
- (2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
- English name
- cholecystokinin 33 (10-20)
- Molecular formula
- C51H93N17O16S
- Molecular weight
- 1232.45
Names & synonyms
Cholecystokinin 33 (10-20)122998-75-8Cck 33 (10-20)DTXSID40153822RefChem:125631DTXCID7076313L-Glutamine, N2-(N-(N2-(N2-(N-(N-(N-(N-(N2-(N-L-serylglycyl)-L-arginyl)-L-methionyl)-L-seryl)-L-isoleucyl)-L-valyl)-L-lysyl)-L-asparaginyl)-L-leucyl)-L-Serylglycyl-N~5~-(diaminomethylidene)-L-ornithyl-L-methionyl-L-seryl-L-isoleucyl-L-valyl-L-lysyl-L-asparaginyl-L-leucyl-L-glutamineL-Glutamine, N2-[N-[N2-[N2-[N-[N-[N-[N-[N2-(N-L-serylglycyl)-L-arginyl]-L-methionyl]-L-seryl]-L-isoleucyl]-L-valyl]-L-lysyl]-L-asparaginyl]-L-leucyl]- (9CI)
Database identifiers
- CAS
122998-75-8- PubChem CID
- 129798
- DTXSID
DTXSID40153822
Properties
Computed structural properties
- XLogP
- -7.9
- Topological polar surface area
- 597 Ų
- Hydrogen bond donors
- 19
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 44
- Heavy atoms
- 85
- Formal charge
- 0
- Complexity
- 2,280
Physicochemical properties
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 3.25 · 3.25±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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