Basic information
- Standard SMILES
O=C(C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)OCc1ccccc1- InChIKey
IVCJQBVEKRPYFU-PMERELPUSA-N- Molecular formula
- C34H29FN4O6
- Average molar mass
- 608.6 g/mol
Names & identifiers
- Preferred name
- (S)-3-benzyloxycarbonylamino-N-[2-fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)phenyl]succinamic acid benzyl ester
- IUPAC
- benzyl (3S)-4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]anilino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate
Names & synonyms
SCHEMBL3390461IVCJQBVEKRPYFU-PMERELPUSA-N(S)-3-benzyloxycarbonylamino-N-[2-fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)phenyl]succinamic acid benzyl ester
Database identifiers
- PubChem CID
- 58823934
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
1 records
Compound notes
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