Basic information
- Standard SMILES
CON=C1C[C@@H](c2noc(CNC(=O)OC(C)(C)C)n2)N(C(=O)c2ccc(-c3ccccc3)cc2)C1- InChIKey
USHBSIOIVYNRPC-NRFANRHFSA-N- Molecular formula
- C26H29N5O5
- Average molar mass
- 491.5 g/mol
- Monoisotopic mass
- 491.21686904
Names & identifiers
- Preferred name
- 4-{[(2S,4EZ)-2-(5-{[(tert-butoxycarbonyl)amino]methyl}-1,2,4-oxadiazol-3-yl)-4-(methoxyimino)pyrrolidinyl]carbonyl}-1,1'-biphenyl
- IUPAC
- tert-butyl N-[[3-[(2S)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl]methyl]carbamate
Names & synonyms
SCHEMBL5946181USHBSIOIVYNRPC-NRFANRHFSA-N4-{[(2S,4EZ)-2-(5-{[(tert-butoxycarbonyl)amino]methyl}-1,2,4-oxadiazol-3-yl)-4-(methoxyimino)pyrrolidinyl]carbonyl}-1,1'-biphenyl
Database identifiers
- PubChem CID
- 58714549
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 786
Related reactions
4 records
Compound notes
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