Citrinamine C
AlkaPlorer ID: AK292589
Synonym: None
IUPAC Name: N-[(E)-3-[2-amino-5-[3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-2-methoxy-1-(2-oxo-1,3-dihydroimidazol-4-yl)propyl]-1H-imidazol-4-yl]prop-2-enyl]-4-bromo-1H-pyrrole-2-carboxamide
Structure
SMILES: COC(CNC(=O)C1=CC(Br)=CN1)C(C1=CNC(=O)N1)C1=C(/C=C/CNC(=O)C2=CC(Br)=CN2)NC(N)=N1
InChI: InChI=1S/C23H25Br2N9O4/c1-38-17(10-30-21(36)15-6-12(25)8-29-15)18(16-9-31-23(37)33-16)19-13(32-22(26)34-19)3-2-4-27-20(35)14-5-11(24)7-28-14/h2-3,5-9,17-18,28-29H,4,10H2,1H3,(H,27,35)(H,30,36)(H3,26,32,34)(H2,31,33,37)/b3-2+
InChIKey: ZICMMYATUMUTEP-NSCUHMNNSA-N
Reference
PubChem CID: 171119609
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas citrina | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 651.32
TPSA？: 202.36
MolLogP？: 2.2096
Number of H-Donors: 8
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|