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Sceptrin

Chemical compound

Chemical compoundtype of chemical entityQ15424768

Formula: C₂₂H₂₄Br₂N₁₀O₂
Mass: 618.045 Da

Chemistry

Computed by PubChem CID 157394 (NIH) · Public domain

Molecular formula: C22H24Br2N10O2
Molecular weight: 620.3 g/mol
IUPAC name: N-[[(1R,2S,3S,4R)-2,3-bis(2-amino-1H-imidazol-5-yl)-4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]cyclobutyl]methyl]-4-bromo-1H-pyrrole-2-carboxamide
SMILES: C1=C(NC=C1Br)C(=O)NC[C@@H]2[C@H]([C@@H]([C@H]2C3=CN=C(N3)N)C4=CN=C(N4)N)CNC(=O)C5=CC(=CN5)Br
InChIKey: YPZNLFZLPZWWAD-GWIYSAMLSA-N
XLogP: 1.2
Topological polar surface area: 199 Å²
H-bond donors / acceptors: 8 / 6
Complexity: 747

Chemistry

All data

33 statements · 0% with external sources · numbers in brackets are citations

Canonical SMILES: C1=C(NC=C1Br)C(=O)NCC2C(C(C2C3=CN=C(N3)N)C4=CN=C(N4)N)CNC(=O)C5=CC(=CN5)Br
Isomeric SMILES: C1=C(NC=C1Br)C(=O)NC[C@@H]2[C@H]([C@@H]([C@H]2C3=CN=C(N3)N)C4=CN=C(N4)N)CNC(=O)C5=CC(=CN5)Br
Found in taxon: Agelas clathrodes
Agelas dendromorpha
Agelas nemoechinata
Agelas cervicornis
Agelas nakamurai
Agelas dispar
Agelas
Agelas conifera
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Stylissa caribica
Agelas novaecaledoniae
Agelas sceptrum
Bryopsis pennata
Subclass of: pyrrole alkaloid
imidazole alkaloid

On other databases

14 identifiers linking Sceptrin across the web's reference databases

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AIDb. (2026). Sceptrin (Q15424768). Retrieved from https://aidb.si/e/sceptrin-Q15424768