Basic information
- Standard SMILES
C[C@@H]1OC(=O)[C@@H](NC(=O)OC(C)(C)C)COC[C@H](Cc2ccccc2)[C@H]1OCCC(=O)O- InChIKey
PBIYZMYJBRRRHX-CAIZAGQASA-N- Molecular formula
- C23H33NO8
- Average molar mass
- 451.5 g/mol
Names & identifiers
- Preferred name
- 3-(((3S,6S,7R,8S)-8-benzyl-3-((tert-butoxycarbonyl)amino)-6-methyl-4-oxo-1,5-dioxonan-7-yl)oxy)propanoic acid
- IUPAC
- 3-[[(3S,6S,7R,8S)-8-benzyl-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-1,5-dioxonan-7-yl]oxy]propanoic acid
Names & synonyms
SCHEMBL15366843PBIYZMYJBRRRHX-CAIZAGQASA-N3-(((3S,6S,7R,8S)-8-benzyl-3-((tert-butoxycarbonyl)amino)-6-methyl-4-oxo-1,5-dioxonan-7-yl)oxy)propanoic acid
Database identifiers
- PubChem CID
- 86701239
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 626
Related reactions
3 records
Compound notes
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