Basic information
- CAS
122998-76-9- Standard SMILES
CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O- InChIKey
NSASTPVXNRXDTG-MUGJNUQGSA-N- Molecular formula
- C25H39N5O8S
- Average molar mass
- 569.7 g/mol
- Monoisotopic mass
- 569.25193439
Names & identifiers
- Preferred name
- MSH, beta, (5-8)
- IUPAC
- (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]pentanedioic acid
- English name
- MSH, beta, (5-8)
- Molecular formula
- C25H39N5O8S
- Molecular weight
- 569.67086
Names & synonyms
Msh, beta, (5-8)122998-76-9DTXSID00153823RefChem:159946DTXCID2076314(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]pentanedioic acidL-Tyrosyl-L-lysyl-L-methionyl-L-glutamic acidL-Glutamic acid, N-(N-(N2-L-tyrosyl-L-lysyl)-L-methionyl)-
Database identifiers
- CAS
122998-76-9- PubChem CID
- 129797
- DTXSID
DTXSID00153823
Properties
Computed structural properties
- XLogP
- -4.9
- Topological polar surface area
- 259 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 19
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 809
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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