Basic information
- CAS
848354-77-8- Standard SMILES
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)[C@@H](C)CC- InChIKey
CCZQXARDZYGLHB-HKZQYKGFSA-N- Molecular formula
- C28H54N8O7
- Average molar mass
- 614.8 g/mol
- Monoisotopic mass
- 614.41154609
Names & identifiers
- Preferred name
- L-Isoleucine, L-isoleucyl-L-asparaginyl-L-lysyl-L-lysyl-
- IUPAC
- (2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoic acid
Names & synonyms
848354-77-8L-Isoleucine, L-isoleucyl-L-asparaginyl-L-lysyl-L-lysyl-DTXSID40469450L-Isoleucyl-L-asparaginyl-L-lysyl-L-lysyl-L-isoleucine
Database identifiers
- CAS
848354-77-8- PubChem CID
- 11614213
- DTXSID
DTXSID40469450
Properties
Computed structural properties
- XLogP
- -5.1
- Topological polar surface area
- 275 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 23
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 920
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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