(2E)-N-[(3S,4S,7S)-3-isopropyl-7-(2-methylpropyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-4-methylpent-2-enamide
AlkaPlorer ID: AK064280
Synonym: None
IUPAC Name: (E)-4-methyl-N-[(3S,4S,7S,10Z)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]pent-2-enamide
Structure
SMILES: CC(C)/C=C/C(O)=N[C@@H]1C(O)=N[C@@H](CC(C)C)C(O)=N/C=C\C2=CC=C(C=C2)O[C@H]1C(C)C
InChI: InChI=1S/C26H37N3O4/c1-16(2)7-12-22(30)29-23-24(18(5)6)33-20-10-8-19(9-11-20)13-14-27-25(31)21(15-17(3)4)28-26(23)32/h7-14,16-18,21,23-24H,15H2,1-6H3,(H,27,31)(H,28,32)(H,29,30)/b12-7+,14-13-/t21-,23-,24-/m0/s1
InChIKey: JATPORNSZHDYDX-IVMUYMPISA-N
Reference
Cyclic peptide alkaloids from the bark of Discaria americana
PubChem CID: 641802
LOTUS: LTS0235024
SuperNatural Ⅲ: SN0160440-04
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Discaria americana | Discaria | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 455.59900000000016
TPSA？: 107.0
MolLogP？: 5.939300000000006
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|