Nagelamide H; 2,2'-Didebromo
AlkaPlorer ID: AK129642
Synonym: Citrinamine B
IUPAC Name: 2-[[2-amino-4-[2-amino-4-[3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]prop-1-enyl]-1H-imidazol-5-yl]-4-[3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]prop-1-enyl]-1H-imidazol-5-ylidene]amino]ethanesulfonic acid
Structure
SMILES: NC1=NC(=NCCS(=O)(=O)O)C(C=CCNC(=O)C2=CC(Br)=CN2)(C2=C(C=CCNC(=O)C3=CC(Br)=CN3)NC(N)=N2)N1
InChI: InChI=1S/C24H27Br2N11O5S/c25-13-9-16(32-11-13)19(38)29-5-1-3-15-18(35-22(27)34-15)24(4-2-6-30-20(39)17-10-14(26)12-33-17)21(36-23(28)37-24)31-7-8-43(40,41)42/h1-4,9-12,32-33H,5-8H2,(H,29,38)(H,30,39)(H3,27,34,35)(H,40,41,42)(H3,28,31,36,37)
InChIKey: UJQWOJQQUJKVEY-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas citrina | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 741.4269999999999
TPSA？: 261.61999999999995
MolLogP？: 1.0020000000000011
Number of H-Donors: 9
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|