Basic information
- CAS
2171225-74-2- Standard SMILES
CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1c2ccccc2C[C@H]1C(=O)O- InChIKey
IJAOHONEELAUSX-ZCYQVOJMSA-N- Molecular formula
- C28H26N2O5
- Average molar mass
- 470.5 g/mol
- Monoisotopic mass
- 470.18417193
Names & identifiers
- Preferred name
- (2S)-1-[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoyl]-2,3-dihydro-1H-indole-2-carboxylic acid
- IUPAC
- (2S)-1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]-2,3-dihydroindole-2-carboxylic acid
Names & synonyms
2171225-74-2(2S)-1-[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoyl]-2,3-dihydro-1H-indole-2-carboxylic acidDTXSID801107813EN300-15121941H-Indole-2-carboxylic acid, 1-[(2S)-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-1-oxobutyl]-2,3-dihydro-, (2S)-
Database identifiers
- CAS
2171225-74-2- PubChem CID
- 165367352
- DTXSID
DTXSID801107813
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 780
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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