L-Threonyl-L-seryl-L-seryl-L-asparaginyl-L-leucyl-L-glutaminyl-L-alanine
Basic information
- CAS
925217-30-7- Standard SMILES
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)O- InChIKey
VRCCFUUKXIJSMY-ZNAWXKKSSA-N- Molecular formula
- C28H49N9O13
- Average molar mass
- 719.7 g/mol
- Monoisotopic mass
- 719.34498265
Names & identifiers
- Preferred name
- L-Threonyl-L-seryl-L-seryl-L-asparaginyl-L-leucyl-L-glutaminyl-L-alanine
- IUPAC
- (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]propanoic acid
Names & synonyms
925217-30-7DTXSID60854021L-Threonyl-L-seryl-L-seryl-L-asparaginyl-L-leucyl-L-glutaminyl-L-alanine
Database identifiers
- CAS
925217-30-7- PubChem CID
- 71445481
- DTXSID
DTXSID60854021
Properties
Computed structural properties
- XLogP
- -8.6
- Topological polar surface area
- 385 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 23
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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