L-Lysine, N6-[(17I(2))-3-methoxyestra-1,3,5(10)-trien-17-yl]-, methyl ester
Basic information
- CAS
112663-46-4- Standard SMILES
COC(=O)C(N)CCCCNC1CCC2C3CCc4cc(OC)ccc4C3CCC12C- InChIKey
OZMYYTWYRRGCLZ-UHFFFAOYSA-N- Molecular formula
- C26H40N2O3
- Average molar mass
- 428.6 g/mol
- Monoisotopic mass
- 428.30389314
Names & identifiers
- Preferred name
- L-Lysine, N6-[(17I(2))-3-methoxyestra-1,3,5(10)-trien-17-yl]-, methyl ester
- IUPAC
- methyl 2-amino-6-[(3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)amino]hexanoate
Names & synonyms
DTXSID701150495L-Lysine, N6-[(17I(2))-3-methoxyestra-1,3,5(10)-trien-17-yl]-, methyl ester112663-46-4
Database identifiers
- CAS
112663-46-4- PubChem CID
- 85540829
- DTXSID
DTXSID701150495
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 613
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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