172617-97-9
AlkaPlorer ID: AK065025
Synonym: None
IUPAC Name: (5R,6S)-N-[3-[4-[(2S)-2-amino-3-[2-(2-amino-1H-imidazol-5-yl)ethylamino]-3-oxopropyl]-2,6-dibromophenoxy]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
Structure
SMILES: COC1=C(Br)[C@@H](O)[C@]2(C=C1Br)CC(C(=O)NCCCOC1=C(Br)C=C(C[C@H](N)C(O)=NCCC3=CNC(=N)N3)C=C1Br)=NO2
InChI: InChI=1S/C27H31Br4N7O6/c1-42-22-17(30)10-27(23(39)20(22)31)11-19(38-44-27)25(41)34-4-2-6-43-21-15(28)7-13(8-16(21)29)9-18(32)24(40)35-5-3-14-12-36-26(33)37-14/h7-8,10,12,18,23,39H,2-6,9,11,32H2,1H3,(H,34,41)(H,35,40)(H3,33,36,37)/t18-,23+,27-/m0/s1
InChIKey: AMHPLTQUBLUGOB-ZPBOBRSPSA-N
Reference
Bromotyrosine Alkaloids from the Sponge <i>Pseudoceratina verrucosa</i>
PubChem CID: 10795719
LOTUS: LTS0221141
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudoceratina verrucosa | Pseudoceratina | Pseudoceratinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 869.2039999999997
TPSA？: 203.42
MolLogP？: 3.722670000000001
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|