Antibiotic WAP 8294A; Antibiotic WAP 8294A4
AlkaPlorer ID: AK288817
Synonym: WAP 8294A4
IUPAC Name: 3-[33-(2-amino-1-hydroxy-2-oxoethyl)-12-(2-amino-2-oxoethyl)-6,18-bis(3-aminopropyl)-24-benzyl-30,36-bis(hydroxymethyl)-9-(1H-indol-3-ylmethyl)-4,25-dimethyl-40-(5-methylhexyl)-21-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38-tridecaoxo-3-propan-2-yl-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37-dodecazacyclotetracont-15-yl]propanoic acid
Structure
SMILES: CC(C)CCCCC1CC(O)=NC(CO)C(O)=NC(C(O)C(=N)O)C(O)=NC(CO)C(O)=NCC(=O)N(C)C(CC2=CC=CC=C2)C(O)=NC(CC(C)C)C(O)=NC(CCCN)C(O)=NC(CCC(=O)O)C(O)=NC(CC(=N)O)C(O)=NC(CC2=CNC3=CC=CC=C23)C(O)=NC(CCCN)C(=O)N(C)C(C(C)C)C(=O)O1
InChI: InChI=1S/C74H113N17O21/c1-39(2)18-12-13-21-44-33-57(95)81-54(38-93)70(107)89-60(62(99)63(78)100)72(109)88-53(37-92)64(101)80-36-58(96)90(7)55(31-42-19-10-9-11-20-42)71(108)87-50(30-40(3)4)67(104)82-47(24-16-28-75)65(102)83-48(26-27-59(97)98)66(103)86-52(34-56(77)94)69(106)85-51(32-43-35-79-46-23-15-14-22-45(43)46)68(105)84-49(25-17-29-76)73(110)91(8)61(41(5)6)74(111)112-44/h9-11,14-15,19-20,22-23,35,39-41,44,47-55,60-62,79,92-93,99H,12-13,16-18,21,24-34,36-38,75-76H2,1-8H3,(H2,77,94)(H2,78,100)(H,80,101)(H,81,95)(H,82,104)(H,83,102)(H,84,105)(H,85,106)(H,86,103)(H,87,108)(H,88,109)(H,89,107)(H,97,98)
InChIKey: LMRZKCWSEDKLES-UHFFFAOYSA-N
Reference
A New Anti-MRSA Antibiotic Complex, WAP-8294A. I. Taxonomy, Isolation and Biological Activities.
PubChem CID: 102439064
LOTUS: LTS0062529
COCONUT: CNP0338202.1
{NPAtlas: NPA018567
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lysobacter sp. | Lysobacter | Xanthomonadaceae | Xanthomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1576.8159999999998
TPSA？: 646.8000000000003
MolLogP？: 5.872240000000012
Number of H-Donors: 21
Number of H-Acceptors: 22
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|