Basic information
- Standard SMILES
CCOC(OCC)[C@H](C)N(Cc1cccc2nsnc12)C(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21- InChIKey
JSZXTLSYKFPNIH-ZSQPVGNWSA-N- Molecular formula
- C42H48N4O6S
- Average molar mass
- 736.9 g/mol
Names & identifiers
- Preferred name
- (9H-fluoren-9-yl)methyl(S)-1-((benzo[c][1,2,5]thiadiazol-4-ylmethyl)((S)-1,1-diethoxypropan-2-yl)amino)-3-(4-tert-butoxyphenyl)-1-oxopropan-2-ylcarbamate
- IUPAC
- 9H-fluoren-9-ylmethyl N-[(2S)-1-[2,1,3-benzothiadiazol-4-ylmethyl-[(2S)-1,1-diethoxypropan-2-yl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]carbamate
Names & synonyms
JSZXTLSYKFPNIH-ZSQPVGNWSA-N(9H-fluoren-9-yl)methyl (S)-1-((benzo[c][1,2,5]thiadiazol-4-ylmethyl)((S)-1,1-diethoxypropan-2-yl)amino)-3-(4-tert-butoxyphenyl)-1-oxopropan-2-ylcarbamate(9H-fluoren-9-yl)methyl(S)-1-((benzo[c][1,2,5]thiadiazol-4-ylmethyl)((S)-1,1-diethoxypropan-2-yl)amino)-3-(4-tert-butoxyphenyl)-1-oxopropan-2-ylcarbamate
Database identifiers
- PubChem CID
- 86698532
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 17
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,140
Related reactions
7 records
Compound notes
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