5-amino-2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]hexanediamide
AlkaPlorer ID: AK047885
Synonym: '78654-44-1', '5-Amino-2,3-dihydroxy-N-1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutylhexanediamide'
IUPAC Name: 5-amino-2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]hexanediamide
Structure
SMILES: CC(C)CC(N=C(O)C(O)C(O)CC(N)C(=N)O)C1CC2=CC=CC(O)=C2C(=O)O1
InChI: InChI=1S/C20H29N3O7/c1-9(2)6-12(23-19(28)17(26)14(25)8-11(21)18(22)27)15-7-10-4-3-5-13(24)16(10)20(29)30-15/h3-5,9,11-12,14-15,17,24-26H,6-8,21H2,1-2H3,(H2,22,27)(H,23,28)
InChIKey: LNIUBVSXHPTWQQ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bacillus pumilus | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 423.4660000000002
TPSA？: 189.68
MolLogP？: 0.8193700000000006
Number of H-Donors: 7
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|