Arylomycin
AlkaPlorer ID: AK022494
Synonym: 'arylomycin'
IUPAC Name: (8S,14S)-3,18-dihydroxy-14-[[2-[[(2R)-2-[[(2R)-3-hydroxy-2-[methyl(10-methylundecanoyl)amino]propanoyl]amino]propanoyl]amino]acetyl]-methylamino]-13-oxo-9,12-diazatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid
Structure
SMILES: CC(C)CCCCCCCCC(=O)N(C)[C@H](CO)C(O)=N[C@H](C)C(O)=NCC(=O)N(C)[C@@H]1C(O)=NCCN[C@H](C(=O)O)CC2=CC=C(O)C(=C2)C2=CC1=CC=C2O
InChI: InChI=1S/C41H60N6O10/c1-25(2)12-10-8-6-7-9-11-13-35(51)46(4)32(24-48)39(54)45-26(3)38(53)44-23-36(52)47(5)37-28-15-17-34(50)30(22-28)29-20-27(14-16-33(29)49)21-31(41(56)57)42-18-19-43-40(37)55/h14-17,20,22,25-26,31-32,37,42,48-50H,6-13,18-19,21,23-24H2,1-5H3,(H,43,55)(H,44,53)(H,45,54)(H,56,57)/t26-,31+,32-,37+/m1/s1
InChIKey: ROVOPUDSNMRCEN-PWSFCJRZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces filamentosus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 796.9630000000002
TPSA？: 248.41
MolLogP？: 4.717300000000007
Number of H-Donors: 8
Number of H-Acceptors: 10
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|