Nagelamide W
AlkaPlorer ID: AK000708
Synonym: None
IUPAC Name: N-[[(4S,5R)-2-amino-4-(2-amino-1H-imidazol-3-ium-5-yl)-4,5-dihydro-1H-imidazol-3-ium-5-yl]methyl]-4,5-dibromo-1H-pyrrole-2-carboxamide
Structure
SMILES: C1=C(NC(=C1Br)Br)C(=O)NC[C@@H]2[C@H]([NH+]=C(N2)N)C3=C[NH+]=C(N3)N
InChI: InChI=1S/C12H14Br2N8O/c13-4-1-5(19-9(4)14)10(23)17-2-6-8(22-12(16)21-6)7-3-18-11(15)20-7/h1,3,6,8,19H,2H2,(H,17,23)(H3,15,18,20)(H3,16,21,22)/p+2/t6-,8+/m1/s1
InChIKey: WGWZEMUSMXGAPW-SVRRBLITSA-P
Reference
Nagelamides U–W, bromopyrrole alkaloids from a marine sponge Agelas sp.
PubChem CID: 171120647
Source
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Properties Information
Molecule Weight: 448.1230000000001
TPSA？: 152.86
MolLogP？: -1.8976999999999995
Number of H-Donors: 7
Number of H-Acceptors: 4
RingCount: 3
Activities Information
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