Thiazomycin B
AlkaPlorer ID: AK064088
Synonym: '', 'Thiazomycin B'
IUPAC Name: N-(3-amino-3-oxoprop-1-en-2-yl)-2-[(1S,18R,21E,28S,29R,30R)-9,30-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]-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(=O)OCC4=CC=CC(=C46)N5)C4=NC(=CS4)C3=N2)=N1)C(=N)O
InChI: InChI=1S/C52H43N13O15S5/c1-17(40(53)69)54-41(70)26-14-84-49(60-26)36-30(67)8-21-34(62-36)25-12-82-47(57-25)24-11-80-51(75)35-22-10-78-39(38(68)52(76)79-9-20-6-5-7-23(55-35)31(20)22)37(50-61-27(15-85-50)42(71)56-24)65-44(73)29-16-83-48(59-29)33(19(3)77-4)64-45(74)32(18(2)66)63-43(72)28-13-81-46(21)58-28/h5-8,12-16,18,24,32,37-39,55,66-68H,1,9-11H2,2-4H3,(H2,53,69)(H,54,70)(H,56,71)(H,63,72)(H,64,74)(H,65,73)/b33-19+/t18-,24-,32+,37-,38+,39+/m0/s1
InChIKey: OOHKUNIJVRTPMS-YWYBETBLSA-N
Reference
Thiazomycins, Thiazolyl Peptide Antibiotics from <i>Amycolatopsis fastidiosa</i>
PubChem CID: 162962272
LOTUS: LTS0104071
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinokineospora fastidiosa | Actinokineospora | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1250.3270000000002
TPSA？: 431.91
MolLogP？: 7.529870000000008
Number of H-Donors: 11
Number of H-Acceptors: 26
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|