arylomycin A4
AlkaPlorer ID: AK039382
Synonym: 'Arylomycin A4'
IUPAC Name: 3,18-dihydroxy-14-[[2-[2-[[3-hydroxy-2-[methyl(11-methyltridecanoyl)amino]propanoyl]amino]propanoylamino]acetyl]-methylamino]-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid
Structure
SMILES: CCC(C)CCCCCCCCCC(=O)N(C)C(CO)C(O)=NC(C)C(O)=NCC(=O)N(C)C1C(O)=NC(C)C(O)=NC(C(=O)O)CC2=CC=C(O)C(=C2)C2=CC1=CC=C2O
InChI: InChI=1S/C44H64N6O11/c1-7-26(2)15-13-11-9-8-10-12-14-16-37(54)49(5)34(25-51)42(58)46-27(3)40(56)45-24-38(55)50(6)39-30-18-20-36(53)32(23-30)31-21-29(17-19-35(31)52)22-33(44(60)61)48-41(57)28(4)47-43(39)59/h17-21,23,26-28,33-34,39,51-53H,7-16,22,24-25H2,1-6H3,(H,45,56)(H,46,58)(H,47,59)(H,48,57)(H,60,61)
InChIKey: FGXIRJIGFSBQNF-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces filamentosus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 853.0270000000002
TPSA？: 268.97
MolLogP？: 6.252900000000008
Number of H-Donors: 8
Number of H-Acceptors: 10
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|