Basic information
- CAS
68374-47-0- Standard SMILES
C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)O- InChIKey
CDMVTQHQSAPTJJ-OCZUONHDSA-N- Molecular formula
- C54H68N10O10S2
- Average molar mass
- 1,081.3 g/mol
- Monoisotopic mass
- 1,080.45613075
Names & identifiers
- Preferred name
- Somatostatin, octapeptide-trp(8)-
- IUPAC
- (2R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-sulfanylpropanoic acid
- English name
- somatostatin, octapeptide-Trp(8)-
- Molecular formula
- C54H68N10O10S2
- Molecular weight
- 1081.30872
Names & synonyms
Somatostatin, octapeptide-trp(8)-Odt8-SS8-Octapeptide-trp-srih68374-47-08-Octapeptidetryptophan-somatostatinCys-phe-phe-D-trp-lys-thr-phe-cys8-Octapeptide-trp-somatostatinSomatostatin, octapeptidetryptophan(8)-DTXSID00218507Des-AA(1,2,4,5,12,13)-8-trp-somatostatinDes-AA(1,2,4,5,12,13)-8-trp-14-cys-SSL-Cysteine, N-(N-(N-(N2-(N-(N-(N-L-cysteinyl-L-phenylalanyl)-L-phenylalanyl)-D-tryptophyl)-L-lysyl)-L-threonyl)-L-phenylalanyl)-
Show more names
RefChem:184292DTXCID80140998(2R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-sulfanylpropanoic acidCys-phe-phe-D-trp-lys-thr-phe-D-cysL-Cysteinyl-L-phenylalanyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-L-phenylalanyl-L-cysteine
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 331 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 30
- Heavy atoms
- 76
- Formal charge
- 0
- Complexity
- 1,890
Chemistry & industry
Suppliers3 total
LEON (NANJING) BIOTECHNOLOGY CO., LTD.15051830413 · [email protected]
南京莱昂生物科技有限公司025-84523390 -127; 17705183659 · [email protected]
南京肽业生物科技有限公司025-58361106-805 15951641583 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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