Thiazomycin D
AlkaPlorer ID: AK064072
Synonym: 'Thiazomycin D', ''
IUPAC Name: N-(3-amino-3-oxoprop-1-en-2-yl)-2-[(1R,18R,21E,28S,29S,30R)-30-[(2R,4S,5S,6S)-4,5-dihydroxy-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: C=C(N=C(O)C1=CSC(C2=C(O)C=C3C4=NC(=CS4)C(O)=N[C@H]([C@@H](C)O)C(O)=N/C(=C(\C)OC)C4=NC(=CS4)C(O)=N[C@@H]4C5=NC(=CS5)C(O)=N[C@H](COC(=O)C5=C6CO[C@@H]4[C@@H](O[C@@H]4C[C@](C)(O)[C@@H](O)[C@H](C)O4)C(=O)OCC4=CC=CC(=C46)N5O)C4=NC(=CS4)C3=N2)=N1)C(=N)O
InChI: InChI=1S/C59H55N13O19S5/c1-20(46(60)76)61-47(77)29-17-95-55(66-29)40-34(74)10-25-39(68-40)28-15-93-53(63-28)27-14-89-57(82)42-26-13-87-43(44(91-35-11-59(5,84)45(75)23(4)90-35)58(83)88-12-24-8-7-9-33(36(24)26)72(42)85)41(56-67-30(18-96-56)48(78)62-27)71-50(80)32-19-94-54(65-32)38(22(3)86-6)70-51(81)37(21(2)73)69-49(79)31-16-92-52(25)64-31/h7-10,15-19,21,23,27,35,37,41,43-45,73-75,84-85H,1,11-14H2,2-6H3,(H2,60,76)(H,61,77)(H,62,78)(H,69,79)(H,70,81)(H,71,80)/b38-22+/t21-,23+,27-,35-,37-,41+,43+,44-,45+,59+/m1/s1
InChIKey: UZZVXLOCAWZSCJ-FLOBLUNRSA-N
Reference
Thiazomycins, Thiazolyl Peptide Antibiotics from <i>Amycolatopsis fastidiosa</i>
PubChem CID: 162865881
LOTUS: LTS0040631
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinokineospora fastidiosa | Actinokineospora | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1410.496
TPSA？: 479.9700000000001
MolLogP？: 7.51167000000001
Number of H-Donors: 12
Number of H-Acceptors: 31
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|