Basic information
- Standard SMILES
CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CC(CN(C)C)SCC(NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O- InChIKey
DZQGPJADRQRDKU-CLBCXVIASA-N- Molecular formula
- C34H40ClFN8O8S
- Average molar mass
- 775.2 g/mol
Names & identifiers
- Preferred name
- (2R)-2-amino-5-({2-[(carboxymethyl)amino]-1-[({3-{[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxy-6-quinolinyl]amino}-1-[(dimethylamino)methyl]-3-oxopropyl}sulfanyl)methyl]-2-oxoethyl}amino)-5-oxopentanoic acid
- IUPAC
- (2R)-2-amino-5-[[1-(carboxymethylamino)-3-[4-[[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]amino]-1-(dimethylamino)-4-oxobutan-2-yl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Names & synonyms
SCHEMBL5492398DZQGPJADRQRDKU-CLBCXVIASA-N(2R)-2-amino-5-({2-[(carboxymethyl)amino]-1-[({3-{[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxy-6-quinolinyl]amino}-1-[(dimethylamino)methyl]-3-oxopropyl}sulfanyl)methyl]-2-oxoethyl}amino)-5-oxopentanoic acid
Database identifiers
- PubChem CID
- 69462181
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 274 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 20
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,310
Related reactions
1 records
Compound notes
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