Basic information
- Standard SMILES
CC[C@H](Nc1nc(OC)nc(NNC(=O)[C@H](CC2CCCC2)CN(C=O)OCc2ccccc2)c1F)C(=O)N(C)C- InChIKey
LRSSTNJUVILCLM-YADHBBJMSA-N- Molecular formula
- C28H40FN7O5
- Average molar mass
- 573.7 g/mol
Names & identifiers
- Preferred name
- (2S)-2-{[6-{2-[(2R)-3-cyclopentyl-2-({formyl[(phenylmethyl)oxy]amino}methyl)propanoyl]hydrazino}-5-fluoro-2-(methyloxy)-4-pyrimidinyl]amino}-N,N-dimethylbutanamide
- IUPAC
- (2S)-2-[[6-[2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(phenylmethoxy)amino]propanoyl]hydrazinyl]-5-fluoro-2-methoxypyrimidin-4-yl]amino]-N,N-dimethylbutanamide
Names & synonyms
SCHEMBL1190500LRSSTNJUVILCLM-YADHBBJMSA-N(2S)-2-{[6-{2-[(2R)-3-cyclopentyl-2-({formyl[(phenylmethyl)oxy]amino}methyl)propanoyl]hydrazino}-5-fluoro-2-(methyloxy)-4-pyrimidinyl]amino}-N,N-dimethylbutanamide
Database identifiers
- PubChem CID
- 86636938
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 15
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 813
Related reactions
2 records
Compound notes
Loading…