Basic information
- Standard SMILES
CC(C)OC(=O)[C@H](Cc1ccc(-n2c(=O)c3cc(CN(C)C=O)ccc3n(C)c2=O)cc1)NC(=O)c1c(Cl)cccc1Cl- InChIKey
AXWPFLNPCJYPCV-VWLOTQADSA-N- Molecular formula
- C31H30Cl2N4O6
- Average molar mass
- 625.5 g/mol
Names & identifiers
- Preferred name
- Nalpha-(2,6-dichlorobenzoyl)-4-{1-methyl-6-(N-formyl-N-methyl-aminomethyl)-quinazoline-2,4[1H,3H]-dion-3-yl}-L-phenylalanine isopropyl ester
- IUPAC
- propan-2-yl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[6-[[formyl(methyl)amino]methyl]-1-methyl-2,4-dioxoquinazolin-3-yl]phenyl]propanoate
Names & synonyms
SCHEMBL370307AXWPFLNPCJYPCV-VWLOTQADSA-NNalpha-(2,6-dichlorobenzoyl)-4-{1-methyl-6-(N-formyl-N-methyl-aminomethyl)-quinazoline-2,4[1H,3H]-dion-3-yl}-L-phenylalanine isopropyl esterNalpha-(2,6-dichlorobenzoyl)-4-{1-methyl-6-(N-formyl-N-methylamino-methyl)-quinazoline-2,4[1H,3H]-dion-3-yl}-L-phenylalanine isopropyl ester
Database identifiers
- PubChem CID
- 58018317
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
7 records
Compound notes
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