Nagelamide J
AlkaPlorer ID: AK006123
Synonym: None
IUPAC Name: N-[3-[4-[(3aS,4R,6aS)-2-amino-4-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]-6a-methoxy-3a,4-dihydro-1H-cyclopenta[d]imidazol-6-yl]-2-amino-1H-imidazol-5-yl]propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide
Structure
SMILES: CO[C@]12[C@H]([C@@H](C=C1C3=C(NC(=N3)N)CCCNC(=O)C4=CC(=C(N4)Br)Br)NC(=O)C5=CC(=C(N5)Br)Br)N=C(N2)N
InChI: InChI=1S/C23H24Br4N10O3/c1-40-23-8(5-12(16(23)36-22(29)37-23)33-20(39)14-7-10(25)18(27)32-14)15-11(34-21(28)35-15)3-2-4-30-19(38)13-6-9(24)17(26)31-13/h5-7,12,16,31-32H,2-4H2,1H3,(H,30,38)(H,33,39)(H3,28,34,35)(H3,29,36,37)/t12-,16+,23+/m1/s1
InChIKey: FHUMBYOBBMFGRQ-HOCONLDDSA-N
Reference
Nagelamide J, a Novel Dimeric Bromopyrrole Alkaloid from a Sponge Agelas Species
PubChem CID: 102085056
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 808.1279999999997
TPSA？: 204.12
MolLogP？: 2.8854999999999995
Number of H-Donors: 8
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|