Basic information
- Standard SMILES
Cc1ccc(CN2CCN(S(=O)(=O)NC(Cc3ccc(-c4noc(-c5ccc(NC(=O)OC(C)(C)C)cc5)n4)c(F)c3)C(=O)O)CC2)cc1- InChIKey
XTLNFHHBFQQRQT-UHFFFAOYSA-N- Molecular formula
- C34H39FN6O7S
- Average molar mass
- 694.8 g/mol
Names & identifiers
- Preferred name
- 3-{4-[5-(4-tert-Butoxycarbonylamino-phenyl)-[1,2,4]oxadiazol-3-yl]-3-fluoro-phenyl}-2-[4-(4-methyl-benzyl)-piperazine-1-sulfonylamino]-propionic acid
- IUPAC
- 3-[3-fluoro-4-[5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-2-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]sulfonylamino]propanoic acid
Names & synonyms
SCHEMBL243371XTLNFHHBFQQRQT-UHFFFAOYSA-N3-{4-[5-(4-tert-Butoxycarbonylamino-phenyl)-[1,2,4]oxadiazol-3-yl]-3-fluoro-phenyl}-2-[4-(4-methyl-benzyl)-piperazine-1-sulfonylamino]-propionic acid
Database identifiers
- PubChem CID
- 53374512
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 13
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,190
Related reactions
1 records
Compound notes
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