200264-71-7
AlkaPlorer ID: AK072149
Synonym: '', '200264-72-8', '(+)-Clathramide D', 'Clathramide C', 'Clathramide D'
IUPAC Name: (2R)-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-[(5S)-5-methyl-1,4-dihydroimidazol-5-yl]propanoic acid
Structure
SMILES: C[C@]1(C[C@@H](NC(=O)C2=CC(Br)=CN2)C(=O)O)CN=CN1
InChI: InChI=1S/C12H15BrN4O3/c1-12(5-14-6-16-12)3-9(11(19)20)17-10(18)8-2-7(13)4-15-8/h2,4,6,9,15H,3,5H2,1H3,(H,14,16)(H,17,18)(H,19,20)/t9-,12+/m1/s1
InChIKey: FVXSWNCEYOEDFV-SKDRFNHKSA-N
Reference
Novel Bromopyrrole Alkaloids from the Sponge <i>Agelas dispar</i>
PubChem CID: 10783555
LOTUS: LTS0261048
NPASS: NPC106724
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas dispar | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 343.18100000000004
TPSA？: 106.58
MolLogP？: 0.7404999999999997
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus niger | Aspergillus niger | Activity | None | None | 10.1021/np970323h |
| Bacillus subtilis | Bacillus subtilis | Activity | None | None | 10.1021/np970323h |
| Staphylococcus aureus | Staphylococcus aureus | Activity | None | None | 10.1021/np970323h |