Basic information
- CAS
757895-56-0- Standard SMILES
CCCCCC=CCC=CC=CC=CC(SCC(N)C(=O)NCC(=O)O)C(O)CCCC(=O)O- InChIKey
YEESKJGWJFYOOK-UHFFFAOYSA-N- Molecular formula
- C25H40N2O6S
- Average molar mass
- 496.7 g/mol
- Monoisotopic mass
- 496.26070817
Names & identifiers
- Preferred name
- S-(1-Carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl)cysteinylglycine
- IUPAC
- 6-[2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
Names & synonyms
S-(1-Carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl)cysteinylglycine757895-56-0DTXSID20860966YCA83678
Database identifiers
- CAS
757895-56-0- PubChem CID
- 3908
- DTXSID
DTXSID20860966
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 20
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 706
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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