Basic information
- Standard SMILES
O=C(O)C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F- InChIKey
CXICVWNRRFHYJK-QHCPKHFHSA-N- Molecular formula
- C27H23FN4O6
- Average molar mass
- 518.5 g/mol
Names & identifiers
- Preferred name
- (S)-3-benzyloxycarbonylamino-N-[2-fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)phenyl]succinamic acid
- IUPAC
- (3S)-4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]anilino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
Names & synonyms
SCHEMBL3385108SCHEMBL3385112CXICVWNRRFHYJK-QHCPKHFHSA-N(S)-3-benzyloxycarbonylamino-N-[2-fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)phenyl]succinamic acid
Database identifiers
- PubChem CID
- 58823962
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 908
Related reactions
2 records
Compound notes
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