L-Threonyl-L-phenylalanyl-L-threonyl-L-valyl-L-valyl-L-threonylglycine
Basic information
- CAS
596105-75-8- Standard SMILES
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)O- InChIKey
SXCMYVRAPUZSAP-ABZXVAIESA-N- Molecular formula
- C33H53N7O11
- Average molar mass
- 723.8 g/mol
- Monoisotopic mass
- 723.38030553
Names & identifiers
- Preferred name
- L-Threonyl-L-phenylalanyl-L-threonyl-L-valyl-L-valyl-L-threonylglycine
- IUPAC
- 2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]acetic acid
Names & synonyms
596105-75-8DTXSID10787092L-Threonyl-L-phenylalanyl-L-threonyl-L-valyl-L-valyl-L-threonylglycine
Database identifiers
- CAS
596105-75-8- PubChem CID
- 71363576
- DTXSID
DTXSID10787092
Properties
Computed structural properties
- XLogP
- -4.2
- Topological polar surface area
- 299 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 20
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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