(S)-2-{[5-(3,3-Dimethyl-2-oxo-butoxy)-1-phenyl-1H-pyrazole-3-carbonyl]-amino}-pentanedioic acid 5-tert-butyl ester 1-methyl ester
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Basic information
- Standard SMILES
COC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cc(OCC(=O)C(C)(C)C)n(-c2ccccc2)n1- InChIKey
DTROEOSRFMFMJA-SFHVURJKSA-N- Molecular formula
- C26H35N3O7
- Average molar mass
- 501.6 g/mol
- Monoisotopic mass
- 501.24750046
Names & identifiers
- Preferred name
- (S)-2-{[5-(3,3-Dimethyl-2-oxo-butoxy)-1-phenyl-1H-pyrazole-3-carbonyl]-amino}-pentanedioic acid 5-tert-butyl ester 1-methyl ester
- IUPAC
- 5-O-tert-butyl 1-O-methyl (2S)-2-[[5-(3,3-dimethyl-2-oxobutoxy)-1-phenylpyrazole-3-carbonyl]amino]pentanedioate
Names & synonyms
SCHEMBL1143691DTROEOSRFMFMJA-SFHVURJKSA-N(S)-2-{[5-(3,3-Dimethyl-2-oxo-butoxy)-1-phenyl-1H-pyrazole-3-carbonyl]-amino}-pentanedioic acid 5-tert-butyl ester 1-methyl ester
Database identifiers
- PubChem CID
- 66920060
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 781
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Related reactions
4 records
Compound notes
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