Basic information
- Standard SMILES
C=CCCC(C)C[C@@H](C)C(NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)O- InChIKey
KFRMBZGDFZDMKS-IZTSSTLKSA-N- Molecular formula
- C21H36N2O6
- Average molar mass
- 412.5 g/mol
Names & identifiers
- Preferred name
- (2S,4R)-1-((3R)-2-((tert-butoxycarbonyl)amino)-3,5-dimethylnon-8-enoyl)-4-hydroxypyrrolidine-2-carboxylic acid
- IUPAC
- (2S,4R)-1-[(3R)-3,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoyl]-4-hydroxypyrrolidine-2-carboxylic acid
Names & synonyms
SCHEMBL13729666KFRMBZGDFZDMKS-IZTSSTLKSA-N(2S,4R)-1-((3R)-2-((tert-butoxycarbonyl)amino)-3,5-dimethylnon-8-enoyl)-4-hydroxypyrrolidine-2-carboxylic acid
Database identifiers
- PubChem CID
- 86683245
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 600
Related reactions
3 records
Compound notes
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