247145-39-7
AlkaPlorer ID: AK016826
Synonym: None
IUPAC Name: (1S,2S,3R,4R)-2-(2-amino-1H-imidazol-5-yl)-3,4-bis[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
Structure
SMILES: NC1=NC=C([C@H]2[C@H](CNC(=O)C3=CC(Br)=CN3)[C@@H](CNC(=O)C3=CC(Br)=CN3)[C@@H]2C(=O)O)N1
InChI: InChI=1S/C20H21Br2N7O4/c21-8-1-12(24-3-8)17(30)26-5-10-11(6-27-18(31)13-2-9(22)4-25-13)16(19(32)33)15(10)14-7-28-20(23)29-14/h1-4,7,10-11,15-16,24-25H,5-6H2,(H,26,30)(H,27,31)(H,32,33)(H3,23,28,29)/t10-,11-,15-,16+/m1/s1
InChIKey: SJXLCFWCEINREE-WVATUKLVSA-N
Reference
New Bromopyrrole Alkaloids from the Indopacific Sponge <i>Agelas nakamurai</i>
PubChem CID: 9987215
LOTUS: LTS0267753
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas nakamurai | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 583.2410000000002
TPSA？: 181.78
MolLogP？: 2.0634999999999994
Number of H-Donors: 7
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|