methyl (9R,11S,14S)-14-tert-butyl-13-oxo-8-oxa-12,15-diazatetracyclo[20.3.1.12,6.1 9,12]octacosa-1(26),2(28),3,5,22,24-hexaene-11-carboxylate
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NCCCCCCc1cccc(c1)-c1cccc(c1)CO2- InChIKey
QXNKORKOCRQYAU-OZNIXHKMSA-N- Molecular formula
- C31H42N2O4
- Average molar mass
- 506.7 g/mol
Names & identifiers
- Preferred name
- methyl (9R,11S,14S)-14-tert-butyl-13-oxo-8-oxa-12,15-diazatetracyclo[20.3.1.12,6.1 9,12]octacosa-1(26),2(28),3,5,22,24-hexaene-11-carboxylate
- IUPAC
- methyl (9R,11S,14S)-14-tert-butyl-13-oxo-8-oxa-12,15-diazatetracyclo[20.3.1.12,6.19,12]octacosa-1(25),2,4,6(28),22(26),23-hexaene-11-carboxylate
Names & synonyms
SCHEMBL8229463QXNKORKOCRQYAU-OZNIXHKMSA-Nmethyl (9R,11S,14S)-14-tert-butyl-13-oxo-8-oxa-12,15-diazatetracyclo[20.3.1.12,6.1 9,12]octacosa-1(26),2(28),3,5,22,24-hexaene-11-carboxylate
Database identifiers
- PubChem CID
- 58005141
Properties
Computed structural propertiesFilling in
- XLogP
- 6
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 750
Related reactions
2 records
Compound notes
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