Thiazomycin E2
AlkaPlorer ID: AK049134
Synonym: '', 'Thiazomycin E2'
IUPAC Name: (2R,3S)-3-[(12R,19R,26E,29S)-5-[4-[(3-amino-3-oxoprop-1-en-2-yl)carbamoyl]-1,3-thiazol-2-yl]-4-hydroxy-29-[(1S)-1-hydroxyethyl]-12-(hydroxymethyl)-26-(1-methoxyethylidene)-14,21,28,31-tetraoxo-10,17,24,34-tetrathia-6,13,20,27,30,35,36,37,38-nonazahexacyclo[30.2.1.18,11.115,18.122,25.02,7]octatriaconta-1(35),2,4,6,8,11(38),15,18(37),22,25(36),32-undecaen-19-yl]-2,3-dihydroxypropanoic acid
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]([C@H](O)[C@@H](O)C(=O)O)C4=NC(=CS4)C(O)=N[C@H](CO)C4=NC(=CS4)C3=N2)=N1)C(=N)O
InChI: InChI=1S/C41H38N12O14S5/c1-12(30(42)59)43-31(60)18-9-71-39(48-18)26-22(56)5-15-25(50-26)17-7-69-37(45-17)16(6-54)44-32(61)19-10-72-40(49-19)27(28(57)29(58)41(65)66)53-34(63)21-11-70-38(47-21)24(14(3)67-4)52-35(64)23(13(2)55)51-33(62)20-8-68-36(15)46-20/h5,7-11,13,16,23,27-29,54-58H,1,6H2,2-4H3,(H2,42,59)(H,43,60)(H,44,61)(H,51,62)(H,52,64)(H,53,63)(H,65,66)/b24-14+/t13-,16+,23-,27+,28-,29+/m0/s1
InChIKey: ORMJUQMAZVTCKY-VFUHOBBSSA-N
Reference
Thiazomycins, Thiazolyl Peptide Antibiotics from <i>Amycolatopsis fastidiosa</i>
PubChem CID: 162865891
LOTUS: LTS0055449
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinokineospora fastidiosa | Actinokineospora | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1083.1600000000003
TPSA？: 432.05
MolLogP？: 4.673770000000004
Number of H-Donors: 13
Number of H-Acceptors: 24
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|