(2S)-2-(dimethylamino)-N-[(3R,4R,7S,11R)-11-hydroxy-3-isopropyl-7-(2-methylpropyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl]-3-phenylpropanamide
AlkaPlorer ID: AK079115
Synonym: None
IUPAC Name: (2S)-2-(dimethylamino)-N-[(3S,4S,7S,11R)-11-hydroxy-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl]-3-phenylpropanamide
Structure
SMILES: CC(C)C[C@@H]1N=C(O)[C@@H](N=C(O)[C@H](CC2=CC=CC=C2)N(C)C)[C@H](C(C)C)OC2=CC=C(C=C2)[C@@H](O)CN=C1O
InChI: InChI=1S/C31H44N4O5/c1-19(2)16-24-29(37)32-18-26(36)22-12-14-23(15-13-22)40-28(20(3)4)27(31(39)33-24)34-30(38)25(35(5)6)17-21-10-8-7-9-11-21/h7-15,19-20,24-28,36H,16-18H2,1-6H3,(H,32,37)(H,33,39)(H,34,38)/t24-,25-,26-,27-,28-/m0/s1
InChIKey: HEBPXDNWUOXIPK-XLIKFSOKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ziziphus jujuba | Ziziphus | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 552.7160000000002
TPSA？: 130.47
MolLogP？: 4.962700000000005
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Serum | Activity | None | None | 10.1021/np9606613 |