methyl 2-((S)-1-(benzyloxycarbonylamino)-2-methylpropyl)-5-(7-bromo-1H-indol-3-yl)oxazole-4-carboxylate
Basic information
- Standard SMILES
COC(=O)c1nc([C@@H](NC(=O)OCc2ccccc2)C(C)C)oc1-c1c[nH]c2c(Br)cccc12- InChIKey
NGZAGZDBAXHUOH-IBGZPJMESA-N- Molecular formula
- C25H24BrN3O5
- Average molar mass
- 526.4 g/mol
- Monoisotopic mass
- 525.08993
Names & identifiers
- Preferred name
- methyl 2-((S)-1-(benzyloxycarbonylamino)-2-methylpropyl)-5-(7-bromo-1H-indol-3-yl)oxazole-4-carboxylate
- IUPAC
- methyl 5-(7-bromo-1H-indol-3-yl)-2-[(1S)-2-methyl-1-(phenylmethoxycarbonylamino)propyl]-1,3-oxazole-4-carboxylate
Names & synonyms
SCHEMBL1056024NGZAGZDBAXHUOH-IBGZPJMESA-Nmethyl 2-((S)-1-(benzyloxycarbonylamino)-2-methylpropyl)-5-(7-bromo-1H-indol-3-yl)oxazole-4-carboxylate
Database identifiers
- PubChem CID
- 59595035
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 704
Related reactions
4 records
Compound notes
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