WY-44655 free acid
Basic information
- CAS
83289-81-0- Standard SMILES
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C(=O)O- InChIKey
JVHRWSUOCUQWIS-LRQRDZAKSA-N- Molecular formula
- C24H28N2O5
- Average molar mass
- 424.5 g/mol
- Monoisotopic mass
- 424.199822
Names & identifiers
- Preferred name
- WY-44655 free acid
- IUPAC
- (2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-2,3-dihydroindole-2-carboxylic acid
Names & synonyms
WY-44655 free acidTY9WO29PH1UNII-TY9WO29PH183289-81-01H-Indole-2-carboxylic acid, 1-(2-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)-2,3-dihydro-, (2S-(1(R*(R*)),2R*))-SCHEMBL11050512
Database identifiers
- CAS
83289-81-0- PubChem CID
- 6917822
- UNII
- TY9WO29PH1
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 633
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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