N2-(4-Bromo-1H-pyrrole-2-carbonyl)homoarginine
AlkaPlorer ID: AK016802
Synonym: N6-(Aminoiminomethyl)-N2-[(4-bromo-1H-pyrrol-2-yl)carbonyl]lysine
IUPAC Name: 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-6-(diaminomethylideneamino)hexanoic acid
Structure
SMILES: N=C(N)NCCCCC(NC(=O)C1=CC(Br)=CN1)C(=O)O
InChI: InChI=1S/C12H18BrN5O3/c13-7-5-9(17-6-7)10(19)18-8(11(20)21)3-1-2-4-16-12(14)15/h5-6,8,17H,1-4H2,(H,18,19)(H,20,21)(H4,14,15,16)
InChIKey: BIHDWFUHHKBZNN-UHFFFAOYSA-N
Reference
New Bromopyrrole Alkaloid from the Marine Sponge <i>Agelas </i><i>w</i><i>iedenmayeri</i>
PubChem CID: 21575391
LOTUS: LTS0176502
COCONUT: CNP0223556
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas wiedenmayeri | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 360.21200000000005
TPSA？: 144.08999999999995
MolLogP？: 0.61357
Number of H-Donors: 6
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|