Molecule

Stylissazole B

AlkaPlorer ID: AK099786

Synonym: None

IUPAC Name: N-[3-(2-amino-1H-imidazol-5-yl)-2-[2-amino-5-oxo-4-(8-oxo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-4-ylidene)imidazol-1-yl]propyl]-4-bromo-1H-pyrrole-2-carboxamide

Structure

SMILES: N=C1NC(=C2CCNC(=O)C3=C2C=CN3)C(=O)N1C(CNC(=O)C1=CC(Br)=CN1)CC1=CNC(=N)N1

InChI: InChI=1S/C22H23BrN10O3/c23-10-5-15(28-7-10)18(34)29-9-12(6-11-8-30-21(24)31-11)33-20(36)17(32-22(33)25)14-2-4-27-19(35)16-13(14)1-3-26-16/h1,3,5,7-8,12,26,28H,2,4,6,9H2,(H2,25,32)(H,27,35)(H,29,34)(H3,24,30,31)

InChIKey: WOUYWOYRNOEAKO-UHFFFAOYSA-N

Reference

Unprecedented Stylissazoles A–C from <i>Stylissa carteri</i>: Another Dimension for Marine Pyrrole‐2‐aminoimidazole Metabolite Diversity

PubChem CID: 163004114

LOTUS: LTS0023971

COCONUT: CNP0278233

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Stylissa carteri	Stylissa	Axinellidae	Axinellida	Demospongiae	Porifera	Metazoa	Eukaryota

Properties Information

Molecule Weight: 555.3970000000002

TPSA？: 201.4

MolLogP？: 0.4934400000000011

Number of H-Donors: 9

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi