Nocathiacin IV
AlkaPlorer ID: AK038715
Synonym: ''
IUPAC Name: 2-[(1R,18S,21E,28R,29S,30S)-30-[(2R,4R,5S,6S)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-9,52-dihydroxy-18-[(1R)-1-hydroxyethyl]-21-(1-methoxyethylidene)-16,19,26,31,42,46-hexaoxo-32,43,54-trioxa-3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decazadecacyclo[26.16.6.229,40.12,5.112,15.122,25.138,41.147,50.06,11.034,39]heptapentaconta-2(57),4,6,8,10,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaen-8-yl]-1,3-thiazole-4-carboxamide
Structure
SMILES: CO/C(C)=C1/N=C(O)[C@H]([C@@H](C)O)N=C(O)C2=CSC(=N2)C2=CC(O)=C(C3=NC(C(=N)O)=CS3)N=C2C2=CSC(=N2)[C@H]2COC(=O)C3=C4CO[C@H]([C@H](O[C@@H]5C[C@@](C)(O)[C@@H](N(C)C)[C@H](C)O5)C(=O)OCC5=CC=CC(=C54)N3O)[C@@H](N=C(O)C3=CSC1=N3)C1=NC(=CS1)C(O)=N2
InChI: InChI=1S/C58H57N13O17S5/c1-21(72)37-50(78)68-38(22(2)83-7)53-64-32(20-92-53)49(77)69-41-43-44(88-35-12-58(4,81)45(70(5)6)23(3)87-35)57(80)85-13-24-9-8-10-33-36(24)26(14-84-43)42(71(33)82)56(79)86-15-27(60-47(75)30-19-93-55(41)65-30)52-61-28(16-90-52)39-25(51-63-31(18-89-51)48(76)67-37)11-34(73)40(66-39)54-62-29(17-91-54)46(59)74/h8-11,16-21,23,27,35,37,41,43-45,72-73,81-82H,12-15H2,1-7H3,(H2,59,74)(H,60,75)(H,67,76)(H,68,78)(H,69,77)/b38-22+/t21-,23+,27-,35-,37+,41-,43+,44+,45+,58-/m1/s1
InChIKey: FSNODJXNXRVAMV-RLLQWDMZSA-N
Reference
Thiazomycins, Thiazolyl Peptide Antibiotics from <i>Amycolatopsis fastidiosa</i>
PubChem CID: 163004598
LOTUS: LTS0078481
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinokineospora fastidiosa | Actinokineospora | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1368.503
TPSA？: 430.39
MolLogP？: 7.610770000000008
Number of H-Donors: 10
Number of H-Acceptors: 30
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|