Basic information
- Standard SMILES
CC(C)(C)OC(=O)[C@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)cc1)Nc1nc2cc(Br)ccc2o1- InChIKey
WJOICGMRKBZDPT-NRFANRHFSA-N- Molecular formula
- C28H33BrN6O5
- Average molar mass
- 613.5 g/mol
Names & identifiers
- Preferred name
- (1,1-dimethyl ethyl) N-(5-bromo-2-benzoxazolyl)-3-[[4-[3-oxo-3-[(1,4,5,6-tetrahydro-2-pyrimidinyl)amino]propyl]benzoyl]amino]-L-alaninate
- IUPAC
- tert-butyl (2S)-2-[(5-bromo-1,3-benzoxazol-2-yl)amino]-3-[[4-[3-oxo-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]benzoyl]amino]propanoate
Names & synonyms
SCHEMBL6289045WJOICGMRKBZDPT-NRFANRHFSA-N(1,1-dimethyl ethyl) N-(5-bromo-2-benzoxazolyl)-3-[[4-[3-oxo-3-[(1,4,5,6-tetrahydro-2-pyrimidinyl)amino]propyl]benzoyl]amino]-L-alaninate
Database identifiers
- PubChem CID
- 69733401
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 919
Related reactions
2 records
Compound notes
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