Basic information
- Standard SMILES
CCOC(OCC)[C@H](C)N(Cc1csc2ccc(Cl)nc12)C(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21- InChIKey
SDQAQSBOIBKUDN-WMELESEDSA-N- Molecular formula
- C43H48ClN3O6S
- Average molar mass
- 770.4 g/mol
Names & identifiers
- Preferred name
- (9H-fluoren-9-yl)methyl (S)-3-(4-tert-butoxyphenyl)-1-(((5-chlorothieno[3,2-b]pyridin-3-yl)methyl)((S)-1,1-diethoxypropan-2-yl)amino)-1-oxopropan-2-ylcarbamate
- IUPAC
- 9H-fluoren-9-ylmethyl N-[(2S)-1-[(5-chlorothieno[3,2-b]pyridin-3-yl)methyl-[(2S)-1,1-diethoxypropan-2-yl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]carbamate
Names & synonyms
SDQAQSBOIBKUDN-WMELESEDSA-N(9H-fluoren-9-yl)methyl (S)-3-(4-tert-butoxyphenyl)-1-(((5-chlorothieno[3,2-b]pyridin-3-yl)methyl)((S)-1,1-diethoxypropan-2-yl)amino)-1-oxopropan-2-ylcarbamate(9H-fluoren-9-yl)methyl(S)-3-(4-tert-butoxyphenyl)-1-(((5-chlorothieno[3,2-b]pyridin-3-yl)methyl)((S)-1,1-diethoxypropan-2-yl)amino)-1-oxopropan-2-ylcarbamate
Database identifiers
- PubChem CID
- 86698529
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 17
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,170
Related reactions
8 records
Compound notes
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