247113-88-8
AlkaPlorer ID: AK016841
Synonym: None
IUPAC Name: methyl (1S,2S,3R,4R)-2-(2-amino-1H-imidazol-5-yl)-3,4-bis[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]cyclobutane-1-carboxylate
Structure
SMILES: COC(=O)[C@H]1[C@H](CNC(=O)C2=CC(Br)=CN2)[C@@H](CNC(=O)C2=CC(Br)=CN2)[C@@H]1C1=CNC(=N)N1
InChI: InChI=1S/C21H23Br2N7O4/c1-34-20(33)17-12(7-28-19(32)14-3-10(23)5-26-14)11(16(17)15-8-29-21(24)30-15)6-27-18(31)13-2-9(22)4-25-13/h2-5,8,11-12,16-17,25-26H,6-7H2,1H3,(H,27,31)(H,28,32)(H3,24,29,30)/t11-,12-,16-,17+/m1/s1
InChIKey: LVDKKOOTMKCMLK-SKNMWMDOSA-N
Reference
New Bromopyrrole Alkaloids from the Indopacific Sponge <i>Agelas nakamurai</i>
PubChem CID: 10818570
LOTUS: LTS0010894
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas nakamurai | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 597.268
TPSA？: 171.50999999999996
MolLogP？: 1.9822699999999995
Number of H-Donors: 7
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|