Basic information
- CAS
827018-38-2- Standard SMILES
CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)O- InChIKey
FQFMKECDYWAOOF-LOVVWNRFSA-N- Molecular formula
- C27H46N8O9S
- Average molar mass
- 658.8 g/mol
- Monoisotopic mass
- 658.31084625
Names & identifiers
- Preferred name
- L-Alanyl-L-alanyl-L-glutaminyl-L-prolyl-L-alanyl-L-methionyl-L-alanine
- IUPAC
- (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoic acid
Names & synonyms
827018-38-2DTXSID80837199L-Alanyl-L-alanyl-L-glutaminyl-L-prolyl-L-alanyl-L-methionyl-L-alanine
Database identifiers
- CAS
827018-38-2- PubChem CID
- 71417869
- DTXSID
DTXSID80837199
Properties
Computed structural properties
- XLogP
- -6.2
- Topological polar surface area
- 298 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 18
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,120
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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