N-{4-[(3S)-3-benzoyl-3-hydroxy-4-methyl-2-oxo-1,4-diazepan-1-yl]butyl}benzamide
AlkaPlorer ID: AK510796
Synonym: None
IUPAC Name: N-[4-(3-benzoyl-3-hydroxy-4-methyl-2-oxo-1,4-diazepan-1-yl)butyl]benzamide
Structure
SMILES: CN1CCCN(CCCCN=C(O)C2=CC=CC=C2)C(=O)C1(O)C(=O)C1=CC=CC=C1
InChI: InChI=1S/C24H29N3O4/c1-26-16-10-18-27(17-9-8-15-25-22(29)20-13-6-3-7-14-20)23(30)24(26,31)21(28)19-11-4-2-5-12-19/h2-7,11-14,31H,8-10,15-18H2,1H3,(H,25,29)
InChIKey: RHGVYMZWAOXGOL-UHFFFAOYSA-N
Reference
Dovyalicin-Type Spermidine Alkaloids from <i>Dovyalis</i> Species
PubChem CID: 101261395
CAS: 597578-58-0
LOTUS: LTS0020029
COCONUT: CNP0169604.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dovyalis macrocalyx | Dovyalis | Salicaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 423.5130000000002
TPSA？: 93.44
MolLogP？: 2.507
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|