Thiomuracin D
AlkaPlorer ID: AK012208
Synonym: None
IUPAC Name: 2-[[2-[[[2-[(18S,25S,32S,35S)-25-benzyl-35-[(2S)-butan-2-yl]-16,23,30,33-tetrahydroxy-18-(2-hydroxy-2-iminoethyl)-32-[(4-hydroxyphenyl)methyl]-21-methyl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,16,19(41),21,23,26(40),28,30,33,36(39)-heptadecaen-8-yl]-1,3-thiazol-4-yl]-hydroxymethylidene]amino]-1-hydroxyprop-2-enylidene]amino]prop-2-enoic acid
Structure
SMILES: C=C(N=C(O)C(=C)N=C(O)C1=CSC(C2=CC=C3C4=NC(=CS4)C(O)=N[C@@H](CC(=N)O)C4=NC(=C(C)S4)C(O)=N[C@@H](CC4=CC=CC=C4)C4=NC(=CS4)C(O)=N[C@@H](CC4=CC=C(O)C=C4)C(O)=N[C@@H]([C@@H](C)CC)C4=NC(=CS4)C4=NC(=CS4)C3=N2)=N1)C(=O)O
InChI: InChI=1S/C59H52N14O10S6/c1-6-26(2)44-58-71-42(25-88-58)56-67-38(21-85-56)46-33(16-17-34(63-46)54-69-39(23-86-54)49(78)61-27(3)47(76)62-28(4)59(82)83)53-68-40(22-84-53)51(80)65-37(20-43(60)75)57-73-45(29(5)89-57)52(81)66-36(19-30-10-8-7-9-11-30)55-70-41(24-87-55)50(79)64-35(48(77)72-44)18-31-12-14-32(74)15-13-31/h7-17,21-26,35-37,44,74H,3-4,6,18-20H2,1-2,5H3,(H2,60,75)(H,61,78)(H,62,76)(H,64,79)(H,65,80)(H,66,81)(H,72,77)(H,82,83)/t26-,35-,36-,37-,44-/m0/s1
InChIKey: OIOXWWLGLKSVSC-NADDLBBTSA-N
Reference
Ribosomally Synthesized Thiopeptide Antibiotics Targeting Elongation Factor Tu
PubChem CID: 42637059
LOTUS: LTS0195112
{NPAtlas: NPA000312
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nonomuraea sp. | Nonomuraea | Streptosporangiaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1309.555
TPSA？: 387.38
MolLogP？: 13.108789999999988
Number of H-Donors: 10
Number of H-Acceptors: 22
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|