Basic information
- Standard SMILES
COC(=O)CCO[C@@H]1[C@@H](Cc2ccccc2)COC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1C- InChIKey
LBBZFUYPAQFFLS-WBKMXMRLSA-N- Molecular formula
- C24H35NO8
- Average molar mass
- 465.5 g/mol
Names & identifiers
- Preferred name
- methyl 3-((3S,6S,7R,8S)-8-benzyl-3-(tert-butoxycarbonylamino)-6-methyl-4-oxo-1,5-dioxonan-7-yloxy)propanoate
- IUPAC
- methyl 3-[[(3S,6S,7R,8S)-8-benzyl-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-1,5-dioxonan-7-yl]oxy]propanoate
Names & synonyms
SCHEMBL15366325LBBZFUYPAQFFLS-WBKMXMRLSA-Nmethyl 3-((3S,6S,7R,8S)-8-benzyl-3-(tert-butoxycarbonylamino)-6-methyl-4-oxo-1,5-dioxonan-7-yloxy)propanoate
Database identifiers
- PubChem CID
- 86701237
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 641
Related reactions
1 records
Compound notes
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