117417-71-7
AlkaPlorer ID: AK028912
Synonym: None
IUPAC Name: N-[[(1R,2S,3S,4R)-2,3-bis(2-amino-1H-imidazol-5-yl)-4-[[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]methyl]cyclobutyl]methyl]-4,5-dibromo-1H-pyrrole-2-carboxamide
Structure
SMILES: NC1=NC([C@H]2[C@H](CNC(=O)C3=CC(Br)=C(Br)N3)[C@@H](CNC(=O)C3=CC(Br)=C(Br)N3)[C@@H]2C2=CNC(N)=N2)=CN1
InChI: InChI=1S/C22H22Br4N10O2/c23-9-1-11(33-17(9)25)19(37)29-3-7-8(4-30-20(38)12-2-10(24)18(26)34-12)16(14-6-32-22(28)36-14)15(7)13-5-31-21(27)35-13/h1-2,5-8,15-16,33-34H,3-4H2,(H,29,37)(H,30,38)(H3,27,31,35)(H3,28,32,36)/t7-,8-,15-,16-/m1/s1
InChIKey: HCZXBTALDGQIPO-HKNDDZKZSA-N
Reference
Bioactive bromopyrrole metabolites from the Caribbean sponge Agelas conifera
PubChem CID: 14840693
LOTUS: LTS0250091
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas conifera | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 778.1019999999999
TPSA？: 199.18
MolLogP？: 3.9768
Number of H-Donors: 8
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|