Basic information
- Standard SMILES
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(CCCC(=O)N[C@@H](CC(N)=O)C(=O)O)cc2)cc1- InChIKey
FCUCDHXFTKUGJP-YTTGMZPUSA-N- Molecular formula
- C36H40N4O7S
- Average molar mass
- 672.8 g/mol
- Monoisotopic mass
- 672.2617708
Names & identifiers
- Preferred name
- N~2~-[4-(4-{4-[(benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenyl)butanoyl]-L-asparagine
- IUPAC
- (2S)-4-amino-2-[4-[4-[4-[[N-benzyl-3-(methanesulfonamido)-2-methylanilino]methyl]phenoxy]phenyl]butanoylamino]-4-oxobutanoic acid
Names & synonyms
SCHEMBL6932291FCUCDHXFTKUGJP-YTTGMZPUSA-NN~2~-[4-(4-{4-[(benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenyl)butanoyl]-L-asparagine
Database identifiers
- PubChem CID
- 21130133
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 17
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,130
Related reactions
1 records
Compound notes
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