(2S)-2-(dimethylamino)-N-[(3R,4R,10R)-3-isopropyl-5,11-dioxo-2-oxa-6,12-diazatricyclo[13.2.2.0⁶,¹⁰]nonadeca-1(17),13,15,18-tetraen-4-yl]-4-methylpentanamide
AlkaPlorer ID: AK455867
Synonym: None
IUPAC Name: (2S)-2-(dimethylamino)-N-[(3S,4S,10S,13Z)-5,11-dioxo-3-propan-2-yl-2-oxa-6,12-diazatricyclo[13.2.2.06,10]nonadeca-1(18),13,15(19),16-tetraen-4-yl]-4-methylpentanamide
Structure
SMILES: CC(C)C[C@@H](C(O)=N[C@@H]1C(=O)N2CCC[C@H]2C(O)=N/C=C\C2=CC=C(C=C2)O[C@H]1C(C)C)N(C)C
InChI: InChI=1S/C27H40N4O4/c1-17(2)16-22(30(5)6)26(33)29-23-24(18(3)4)35-20-11-9-19(10-12-20)13-14-28-25(32)21-8-7-15-31(21)27(23)34/h9-14,17-18,21-24H,7-8,15-16H2,1-6H3,(H,28,32)(H,29,33)/b14-13-/t21-,22-,23-,24-/m0/s1
InChIKey: MITWCWLZKRSVCI-SBGIFIGLSA-N
Reference
A New Peptide Alkaloid from Canthium anorldianum
PubChem CID: 6442830
CAS: 123690-71-1
LOTUS: LTS0224064
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Psydrax arnoldiana | Psydrax | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 484.6410000000001
TPSA？: 97.96
MolLogP？: 4.323200000000004
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|