3,14-Se-Cys-8-trp-somatostatin
Basic information
- CAS
77201-60-6- Standard SMILES
C[C@H](N)C(=O)NCC(=O)N[C@@H](C[Se])C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C[Se])C(=O)O)[C@@H](C)O)[C@@H](C)O- InChIKey
ZHIIMVRMTXFZNE-ZPHDWPCDSA-N- Molecular formula
- C76H104N18O19Se2
- Average molar mass
- 1,731.7 g/mol
- Monoisotopic mass
- 1,732.60556
Names & identifiers
- Preferred name
- 3,14-Se-Cys-8-trp-somatostatin
- English name
- somatostatin, seleno-Cys(3,14)-Trp(8)-
- Molecular formula
- C76H106N18O19Se2
- Molecular weight
- 1733.68
Names & synonyms
3,14-Se-Cys-8-trp-somatostatinSomatostatin, seleno-cys(3,14)-trp(8)-3,14-Selenocysteinyl-8-tryptophan-somatostatinSomatostatin, selenocysteinyl(3,14)-tryptophan(8)-3-(3-Selenyl-L-alanine)-8-D-tryptophan-14-(3-selenyl-L-alanine)somatostatin (sheep reduced)77201-60-6Somatostatin (sheep reduced), 3-(3-selenyl-L-alanine)-8-D-tryptophan-14-(3-selenyl-L-alanine)-Somatostatin (sheep reduced), 3-(3-selenyl-L-alanine)-8-D-tryptophan-14-(3-selenyl-L-alanine)- (9CI)
Database identifiers
- CAS
77201-60-6- PubChem CID
- 129010906
Properties
Computed structural properties
- Topological polar surface area
- 613 Ų
- Hydrogen bond donors
- 22
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 50
- Heavy atoms
- 115
- Formal charge
- 0
- Complexity
- 3,210
Physicochemical properties
- Boiling point
- 2056.1 · 2056.1±65.0 °C(Predicted)
- pka
- 3.06 · 3.06±0.10(Predicted)
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Related reactions
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Compound notes
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