Basic information
- Standard SMILES
COc1cccc(CN(C(=O)C2=C(c3cnc(OCCO[Si](C)(C)C(C)(C)C)s3)CC3CN(C(=O)OC(C)(C)C)CC2N3C(=O)OC(C)(C)C)C2CC2)c1C- InChIKey
CLYCNNGCITXPBE-UHFFFAOYSA-N- Molecular formula
- C41H62N4O8SSi
- Average molar mass
- 799.1 g/mol
- Monoisotopic mass
- 798.40576266
Names & identifiers
- Preferred name
- 7-{2-[2-(tert-Butyldimethylsilanyloxy)ethoxy]thiazol-5-yl}-6-[cyclo-propyl-(3-methoxy-2-methylbenzyl)carbamoyl]-3,9-diazabicyclo[3.3.1]non-6-ene-3,9-dicarboxylic acid di-tert-butyl ester
- IUPAC
- ditert-butyl 7-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-1,3-thiazol-5-yl]-6-[cyclopropyl-[(3-methoxy-2-methylphenyl)methyl]carbamoyl]-3,9-diazabicyclo[3.3.1]non-6-ene-3,9-dicarboxylate
Names & synonyms
SCHEMBL3258171CLYCNNGCITXPBE-UHFFFAOYSA-N7-{2-[2-(tert-Butyldimethylsilanyloxy)ethoxy]thiazol-5-yl}-6-[cyclo-propyl-(3-methoxy-2-methylbenzyl)carbamoyl]-3,9-diazabicyclo[3.3.1]non-6-ene-3,9-dicarboxylic acid di-tert-butyl ester
Database identifiers
- PubChem CID
- 68570531
Properties
Computed structural properties
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 16
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,420
Related reactions
2 records
Compound notes
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