methyl 4-{[({3-bromo-2-[(2,3-dibromo-4,5-dihydroxycyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroxyphenyl}methyl)carbamoyl]amino}butanoate
AlkaPlorer ID: AK011247
Synonym: None
IUPAC Name: methyl 4-[[3-bromo-2-[[(1S)-2,3-dibromo-4,5-dihydroxycyclohexa-2,4-dien-1-yl]methyl]-4,5-dihydroxyphenyl]methylcarbamoylamino]butanoate
Structure
SMILES: COC(=O)CCCN=C(O)NCC1=CC(O)=C(O)C(Br)=C1C[C@H]1CC(O)=C(O)C(Br)=C1Br
InChI: InChI=1S/C20H23Br3N2O7/c1-32-14(28)3-2-4-24-20(31)25-8-10-7-13(27)18(29)16(22)11(10)5-9-6-12(26)19(30)17(23)15(9)21/h7,9,26-27,29-30H,2-6,8H2,1H3,(H2,24,25,31)/t9-/m0/s1
InChIKey: IAFRUKAVLNFIBD-VIFPVBQESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rhodomela confervoides | Rhodomela | Rhodomelaceae | Ceramiales | Florideophyceae | Rhodophyta | None | Eukaryota |
Properties Information
Molecule Weight: 643.1230000000003
TPSA？: 151.84
MolLogP？: 4.708500000000004
Number of H-Donors: 6
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|