(2S)-2-(dimethylamino)-N-[(3S,4S,7S,11R)-3-isopropyl-11-methoxy-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: AK052445
Synonym: None
IUPAC Name: (2S)-2-(dimethylamino)-N-[(3S,4S,7S,11R)-11-methoxy-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: CO[C@H]1CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H](N=C(O)[C@H](CC2=CC=CC=C2)N(C)C)[C@H](C(C)C)OC2=CC=C1C=C2
InChI: InChI=1S/C32H46N4O5/c1-20(2)17-25-30(37)33-19-27(40-7)23-13-15-24(16-14-23)41-29(21(3)4)28(32(39)34-25)35-31(38)26(36(5)6)18-22-11-9-8-10-12-22/h8-16,20-21,25-29H,17-19H2,1-7H3,(H,33,37)(H,34,39)(H,35,38)/t25-,26-,27-,28-,29-/m0/s1
InChIKey: BINQKWRSNMBDHS-ZIUUJSQJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ziziphus jujuba | Ziziphus | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 566.7430000000003
TPSA？: 119.47
MolLogP？: 5.616800000000005
Number of H-Donors: 3
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 |