Basic information
- CAS
50432-79-6- Standard SMILES
Cc1ccc(S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)NC2CC(C)(C)N(C)C(C)(C)C2)cc1- InChIKey
HEDRYZJMBNKJPK-SFHVURJKSA-N- Molecular formula
- C22H35N3O5S
- Average molar mass
- 453.6 g/mol
- Monoisotopic mass
- 453.2297424
Names & identifiers
- Preferred name
- Pentanoic acid, 4-(((4-methylphenyl)sulfonyl)amino)-5-oxo-5-((1,2,2,6,6-pentamethyl-4-piperidinyl)amino)-, (S)-
- IUPAC
- (4S)-4-[(4-methylphenyl)sulfonylamino]-5-oxo-5-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pentanoic acid
Names & synonyms
Pentanoic acid, 4-(((4-methylphenyl)sulfonyl)amino)-5-oxo-5-((1,2,2,6,6-pentamethyl-4-piperidinyl)amino)-, (S)-1,2,2,6,6-Pentamethyl-4-(N-tosyl-L-alpha-glutamylamino)piperidine50432-79-6DTXSID70198468RefChem:368200DTXCID00120959N~2~-(4-Methylbenzene-1-sulfonyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-L-alpha-glutamine
Database identifiers
- CAS
50432-79-6- PubChem CID
- 3039331
- DTXSID
DTXSID70198468
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 734
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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