Basic information
- Standard SMILES
CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)nc2cc3nn2c1N1CCC(C)(CC1)OCC=Cc1ccccc1CC=C3- InChIKey
NVOSJFJCLYEIFY-LJAQVGFWSA-N- Molecular formula
- C33H42N4O4
- Average molar mass
- 558.7 g/mol
Names & identifiers
- Preferred name
- Ethyl (2S)-2-(tert-butoxy)-2-[4,23-dimethyl-22-oxa-1,5,7,8-tetraazapentacyclo[21.2.2.16,9.02,7.013,18]octacosa-2,4,6(28),8,10,13(18),14,16,19-nonaen-3-yl]acetate
- IUPAC
- ethyl (2S)-2-(4,23-dimethyl-22-oxa-1,5,7,8-tetrazapentacyclo[21.2.2.16,9.02,7.013,18]octacosa-2,4,6(28),8,10,13,15,17,19-nonaen-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
Names & synonyms
NVOSJFJCLYEIFY-LJAQVGFWSA-NEthyl (2S)-2-(tert-butoxy)-2-[4,23-dimethyl-22-oxa-1,5,7,8-tetraazapentacyclo[21.2.2.16,9.02,7.013,18]octacosa-2,4,6(28),8,10,13(18),14,16,19-nonaen-3-yl]acetate
Database identifiers
- PubChem CID
- 123747350
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
2 records
Compound notes
Loading…