Basic information
- Standard SMILES
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2cccc(OCCCC(=O)N[C@H](C(=O)O)C(C)C)c2)cc1- InChIKey
YYJMUADWHXQOBK-BHVANESWSA-N- Molecular formula
- C37H43N3O7S
- Average molar mass
- 673.8 g/mol
Names & identifiers
- Preferred name
- N-[4-(3-{4-[(benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenoxy)butanoyl]-L-valine
- IUPAC
- (2S)-2-[4-[3-[4-[[N-benzyl-3-(methanesulfonamido)-2-methylanilino]methyl]phenoxy]phenoxy]butanoylamino]-3-methylbutanoic acid
Names & synonyms
SCHEMBL3962891YYJMUADWHXQOBK-BHVANESWSA-NN-[4-(3-{4-[(benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenoxy)butanoyl]-L-valine
Database identifiers
- PubChem CID
- 68856491
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 17
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
1 records
Compound notes
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