(1S,2S,5R,6R,7S)-3-butyl-2-N-cyclohexyl-4-oxo-6-N-(4-phenoxyphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
AlkaPlorer ID: AK392527
Synonym: None
IUPAC Name: (1S,2S,5R,6R,7S)-3-butyl-2-N-cyclohexyl-4-oxo-6-N-(4-phenoxyphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
Structure
SMILES: CCCCN1C(=O)[C@@H]2[C@@H](C(=O)NC3=CC=C(OC4=CC=CC=C4)C=C3)[C@@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1
InChI: InChI=1S/C32H37N3O5/c1-2-3-20-35-28(30(37)34-21-10-6-4-7-11-21)32-19-18-25(40-32)26(27(32)31(35)38)29(36)33-22-14-16-24(17-15-22)39-23-12-8-5-9-13-23/h5,8-9,12-19,21,25-28H,2-4,6-7,10-11,20H2,1H3,(H,33,36)(H,34,37)/t25-,26-,27-,28+,32-/m0/s1
InChIKey: GSTLCJDONFWAJB-JDBQAIRESA-N
Reference
PubChem CID: 98180807
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 543.664
TPSA？: 96.97
MolLogP？: 4.817000000000005
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|