N-{[2-(2-amino-1H-imidazol-5-yl)-5-oxo-6-[(4E)-8-oxo-1H,4H,5H,6H,7H,8H-pyrrolo[2,3-c]azepin-4-ylidene]-1H,2H,3H,5H,6H-[1,3]diazolo[1,2-a]imidazol-3-yl]methyl}-4-bromo-1H-pyrrole-2-carboxamide
AlkaPlorer ID: AK513226
Synonym: None
IUPAC Name: N-[[(2S,3R,6E)-2-(2-amino-1H-imidazol-5-yl)-5-oxo-6-(8-oxo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-4-ylidene)-3,7-dihydro-2H-imidazo[1,2-a]imidazol-3-yl]methyl]-4-bromo-1H-pyrrole-2-carboxamide
Structure
SMILES: N=C1NC=C([C@H]2NC3=N/C(=C4\CCN=C(O)C5=C4C=CN5)C(=O)N3[C@@H]2CNC(=O)C2=CC(Br)=CN2)N1
InChI: InChI=1S/C22H21BrN10O3/c23-9-5-12(27-6-9)18(34)28-8-14-17(13-7-29-21(24)30-13)32-22-31-16(20(36)33(14)22)11-2-4-26-19(35)15-10(11)1-3-25-15/h1,3,5-7,14,17,25,27H,2,4,8H2,(H,26,35)(H,28,34)(H,31,32)(H3,24,29,30)/b16-11+/t14-,17-/m1/s1
InChIKey: RMUSSDXMUOCMGR-HCIRMPLMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stylissa carteri | Stylissa | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 553.3810000000002
TPSA？: 193.4
MolLogP？: 1.0016700000000005
Number of H-Donors: 8
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|