Ac-Asp-D-Asp-Ile-Val-Pro-norVal-C2F5
Basic information
- Standard SMILES
CCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)CC)C(C)C)C(=O)C(F)(F)C(F)(F)F- InChIKey
VQXZIABBULCVKP-RWIRJSAFSA-N- Molecular formula
- C33H49F5N6O11
- Average molar mass
- 800.8 g/mol
- Monoisotopic mass
- 800.33794721
Names & identifiers
- Preferred name
- Ac-Asp-D-Asp-Ile-Val-Pro-norVal-C2F5
- IUPAC
- (3S)-3-acetamido-4-[[(2R)-3-carboxy-1-[[(2S,3S)-3-methyl-1-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(1,1,1,2,2-pentafluoro-3-oxoheptan-4-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Names & synonyms
Ac-Asp-D-Asp-Ile-Val-Pro-norVal-C2F5Ac-D-d-I-V-P-Nva-C2F5DTXSID201368700
Database identifiers
- PubChem CID
- 483673
- DTXSID
DTXSID201368700
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 257 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 21
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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