(1S,2S,5R,6R,7S)-3-[(2S)-butan-2-yl]-2-N-cyclohexyl-6-N-(3,5-dichlorophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
AlkaPlorer ID: AK333688
Synonym: None
IUPAC Name: (1S,2S,5R,6R,7S)-3-[(2S)-butan-2-yl]-2-N-cyclohexyl-6-N-(3,5-dichlorophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
Structure
SMILES: CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(=O)NC3=CC(Cl)=CC(Cl)=C3)[C@@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1
InChI: InChI=1S/C26H31Cl2N3O4/c1-3-14(2)31-22(24(33)29-17-7-5-4-6-8-17)26-10-9-19(35-26)20(21(26)25(31)34)23(32)30-18-12-15(27)11-16(28)13-18/h9-14,17,19-22H,3-8H2,1-2H3,(H,29,33)(H,30,32)/t14-,19-,20-,21-,22+,26-/m0/s1
InChIKey: AMJRQSQXAOPSDX-JYNPXLNOSA-N
Reference
PubChem CID: 98179795
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 520.4570000000002
TPSA？: 87.74000000000001
MolLogP？: 4.329900000000003
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|