Basic information
- Standard SMILES
CCCCC(NC(=O)OCc1ccccc1)P(=O)(OC)O[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)OCC- InChIKey
JJSRUQNAXHTEGW-RILXEEKJSA-N- Molecular formula
- C29H43F3N3O9P
- Average molar mass
- 665.6 g/mol
Names & identifiers
- Preferred name
- 1-[(S)-6-[(Trifluoroacetyl)amino]-2-[[[1-[[(phenylmethoxy)carbonyl]amino]pentyl]methoxyphosphinyl]oxy]-1-oxohexyl]-L-proline, ethyl ester
- IUPAC
- ethyl (2S)-1-[(2S)-2-[methoxy-[1-(phenylmethoxycarbonylamino)pentyl]phosphoryl]oxy-6-[(2,2,2-trifluoroacetyl)amino]hexanoyl]pyrrolidine-2-carboxylate
Names & synonyms
JJSRUQNAXHTEGW-RILXEEKJSA-N1-[(S)-6-[(Trifluoroacetyl)amino]-2-[[[1-[[(phenylmethoxy)carbonyl]amino]pentyl]methoxyphosphinyl]oxy]-1-oxohexyl]-L-proline, ethyl ester
Database identifiers
- PubChem CID
- 131716004
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 20
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
2 records
Compound notes
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