Basic information
- Standard SMILES
COC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)c1ccc(-n2nnnc2NCc2cccc(O)c2)cc1Cl- InChIKey
AROYXDHKRVNVNJ-MHZLTWQESA-N- Molecular formula
- C32H26Cl3N7O5
- Average molar mass
- 694.9 g/mol
- Monoisotopic mass
- 693.1061
Names & identifiers
- Preferred name
- 4-[[(2,6-dichlorophenyl)carbonyl]amino]-N-[[2-chloro-4-[5-[[(3-hydroxyphenyl)methyl]amino]-1H-tetrazol-1-yl]phenyl]carbonyl]-L-phenylalanine methyl ester
- IUPAC
- methyl (2S)-2-[[2-chloro-4-[5-[(3-hydroxyphenyl)methylamino]tetrazol-1-yl]benzoyl]amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate
Names & synonyms
SCHEMBL6642090AROYXDHKRVNVNJ-MHZLTWQESA-N4-[[(2,6-dichlorophenyl)carbonyl]amino]-N-[[2-chloro-4-[5-[[(3-hydroxyphenyl)methyl]amino]-1H-tetrazol-1-yl]phenyl]carbonyl]-L-phenylalanine methyl ester
Database identifiers
- PubChem CID
- 69849324
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
2 records
Compound notes
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