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Basic information
- Standard SMILES
O=C(N[C@@H](Cc1ccccc1)C(=O)[O-])c1cccc(CC2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1.[Na+]- InChIKey
HUDMQQPEWTUBJV-YQDHDXNWSA-M- Molecular formula
- C38H33N2NaO4
- Average molar mass
- 604.7 g/mol
Names & identifiers
- Preferred name
- sodium (2S)-2-{3-{[2-(4,5-diphenyloxazol-2-yl)-2-cyclohexen-1-yl]methyl}benzoylamino}-3-phenylpropionate
- IUPAC
- sodium (2S)-2-[[3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]benzoyl]amino]-3-phenylpropanoate
Names & synonyms
HUDMQQPEWTUBJV-YQDHDXNWSA-Msodium (2S)-2-{3-{[2-(4,5-diphenyloxazol-2-yl)-2-cyclohexen-1-yl]methyl}benzoylamino}-3-phenylpropionate
Database identifiers
- PubChem CID
- 86758477
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 95.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 971
Related reactions
1 records
Compound notes
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