thiazomycin
AlkaPlorer ID: AK023569
Synonym: '', 'Thiazomycin'
IUPAC Name: 2-[(1S,18S,21E,28S,29R,30R)-30-[[(3aR,4S,6S,7aS)-3,4,7a-trimethyl-3a,4,6,7-tetrahydro-2H-pyrano[3,4-d][1,3]oxazol-6-yl]oxy]-9,52-dihydroxy-18-[(1S)-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]-N-(3-amino-3-oxoprop-1-en-2-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@]7(C)OCN(C)[C@@H]7[C@H](C)O4)C(=O)OCC4=CC=CC(=C46)N5O)C4=NC(=CS4)C3=N2)=N1)C(=N)O
InChI: InChI=1S/C61H58N14O18S5/c1-22(48(62)78)63-49(79)31-18-97-57(68-31)42-36(77)11-27-41(70-42)30-16-95-55(65-30)29-15-90-59(84)44-28-14-88-45(46(60(85)89-13-26-9-8-10-35(38(26)28)75(44)86)93-37-12-61(5)47(25(4)92-37)74(6)21-91-61)43(58-69-32(19-98-58)50(80)64-29)73-52(82)34-20-96-56(67-34)40(24(3)87-7)72-53(83)39(23(2)76)71-51(81)33-17-94-54(27)66-33/h8-11,16-20,23,25,29,37,39,43,45-47,76-77,86H,1,12-15,21H2,2-7H3,(H2,62,78)(H,63,79)(H,64,80)(H,71,81)(H,72,83)(H,73,82)/b40-24+/t23-,25-,29-,37-,39-,43-,45+,46+,47+,61-/m0/s1
InChIKey: GYOHFSLEKIIJMU-AIGODLMBSA-N
Reference
Thiazomycins, Thiazolyl Peptide Antibiotics from <i>Amycolatopsis fastidiosa</i>
PubChem CID: 162972029
LOTUS: LTS0101694
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinokineospora fastidiosa | Actinokineospora | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1435.5499999999995
TPSA？: 451.9800000000001
MolLogP？: 8.44657000000001
Number of H-Donors: 10
Number of H-Acceptors: 31
RingCount: 13
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|