tert-butyl (3S,5S,8S)-8-(benzyloxymethyl)-6-hydroxy-3-((1-(3-methoxypropyl)-1H-indazol-6-yl)methyl)-2,9-dimethyldecan-5-ylcarbamate
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Basic information
- Standard SMILES
COCCCn1ncc2ccc(C[C@@H](C[C@H](NC(=O)OC(C)(C)C)C(O)C[C@H](COCc3ccccc3)C(C)C)C(C)C)cc21- InChIKey
XTSRRQYKRVMBRB-PRFCHVDJSA-N- Molecular formula
- C37H57N3O5
- Average molar mass
- 623.9 g/mol
- Monoisotopic mass
- 623.42982193
Names & identifiers
- Preferred name
- tert-butyl (3S,5S,8S)-8-(benzyloxymethyl)-6-hydroxy-3-((1-(3-methoxypropyl)-1H-indazol-6-yl)methyl)-2,9-dimethyldecan-5-ylcarbamate
- IUPAC
- tert-butyl N-[(3S,5S,8S)-6-hydroxy-3-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-2,9-dimethyl-8-(phenylmethoxymethyl)decan-5-yl]carbamate
Names & synonyms
SCHEMBL12053985XTSRRQYKRVMBRB-PRFCHVDJSA-Ntert-butyl (3S,5S,8S)-8-(benzyloxymethyl)-6-hydroxy-3-((1-(3-methoxypropyl)-1H-indazol-6-yl)methyl)-2,9-dimethyldecan-5-ylcarbamate
Database identifiers
- PubChem CID
- 59630979
Properties
Computed structural propertiesFilling in
- XLogP
- 7.4
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 20
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 827
Related reactions
2 records
Compound notes
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