(S)-4-(benzyloxycarbonylamino)-N-{1-[2-(trimethylsilyl)ethoxymethyl]pyrrolo[2,3-b]pyridin-4-yl}thiochromane-7-carboxamide
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Basic information
- Standard SMILES
C[Si](C)(C)CCOCn1ccc2c(NC(=O)c3ccc4c(c3)SCC[C@@H]4NC(=O)OCc3ccccc3)ccnc21- InChIKey
OOYIUVFRJFXMIB-MHZLTWQESA-N- Molecular formula
- C31H36N4O4SSi
- Average molar mass
- 588.8 g/mol
Names & identifiers
- Preferred name
- (S)-4-(benzyloxycarbonylamino)-N-{1-[2-(trimethylsilyl)ethoxymethyl]pyrrolo[2,3-b]pyridin-4-yl}thiochromane-7-carboxamide
- IUPAC
- benzyl N-[(4S)-7-[[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]carbamoyl]-3,4-dihydro-2H-thiochromen-4-yl]carbamate
Names & synonyms
SCHEMBL5956640OOYIUVFRJFXMIB-MHZLTWQESA-N(S)-4-(benzyloxycarbonylamino)-N-{1-[2-(trimethylsilyl)ethoxymethyl]pyrrolo[2,3-b]pyridin-4-yl}thiochromane-7-carboxamide
Database identifiers
- PubChem CID
- 69619656
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 870
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Related reactions
1 records
Compound notes
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