Basic information
- Standard SMILES
CC(C)(C)OCCOc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccccc2)c2nc3cc(I)ccc3[nH]2)cc1- InChIKey
LMFKAKRQMYWMGM-URLMMPGGSA-N- Molecular formula
- C34H41IN4O5
- Average molar mass
- 712.6 g/mol
- Monoisotopic mass
- 712.21217
Names & identifiers
- Preferred name
- {(R)-[4-(2-tert-butoxy-ethoxy)-phenyl]-[(S)-1-(5-iodo-1H-benzoimidazol-2-yl)-2-phenyl-ethylcarbamoyl]-methyl}-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[(1R)-2-[[(1S)-1-(6-iodo-1H-benzimidazol-2-yl)-2-phenylethyl]amino]-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-2-oxoethyl]carbamate
Names & synonyms
SCHEMBL845087LMFKAKRQMYWMGM-URLMMPGGSA-N{(R)-[4-(2-tert-butoxy-ethoxy)-phenyl]-[(S)-1-(5-iodo-1H-benzoimidazol-2-yl)-2-phenyl-ethylcarbamoyl]-methyl}-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 66815337
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 910
Related reactions
2 records
Compound notes
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