Basic information
- Standard SMILES
CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)O- InChIKey
ZWYYPGRQCNNKKO-IMZDWQQGSA-N- Molecular formula
- C28H46N2O5S
- Average molar mass
- 522.7 g/mol
- Monoisotopic mass
- 522.31274375
Names & identifiers
- Preferred name
- (R)-2-((S)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxamido)-3-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienylthio)propanoic acid
- IUPAC
- (2R)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropanoic acid
Names & synonyms
SCHEMBL3424989ZWYYPGRQCNNKKO-IMZDWQQGSA-N(R)-2-((S)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxamido)-3-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienylthio)propanoic acid
Database identifiers
- PubChem CID
- 46209286
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 837
Related reactions
2 records
Compound notes
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