(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-carboxylic acid
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC(C)(C)[C@@H]1NCCCCCCc2cccc(c2)-c2cccc(c2)CO[C@@H]2C[C@@H](C(=O)O)N(C2)C1=O- InChIKey
ZTLASUKJQBHZBM-KWXIBIRDSA-N- Molecular formula
- C30H40N2O4
- Average molar mass
- 492.6 g/mol
Names & identifiers
- Preferred name
- (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-carboxylic acid
- IUPAC
- (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-carboxylic acid
Names & synonyms
SCHEMBL13576271ZTLASUKJQBHZBM-KWXIBIRDSA-N(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-carboxylic acid
Database identifiers
- PubChem CID
- 58005162
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 735
Related reactions
2 records
Compound notes
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