Mechercharstatin B
AlkaPlorer ID: AK305397
Synonym: Mechercharmycin B
IUPAC Name: methyl 4-[4-[[1-[[1-[1-[4-(4-carbamoyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]ethenylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]-5-phenyl-1,3-oxazol-2-yl]-1,3-oxazole-2-carboxylate
Structure
SMILES: C=C(N=C(O)C(N=C(O)C(N=C(O)C1=C(C2=CC=CC=C2)OC(C2=COC(C(=O)OC)=N2)=N1)C(C)CC)C(C)C)C1=NC(C2=NC(C(=N)O)=CO2)=CO1
InChI: InChI=1S/C35H36N8O10/c1-7-17(4)24(42-30(47)25-26(19-11-9-8-10-12-19)53-33(43-25)22-15-52-34(40-22)35(48)49-6)29(46)41-23(16(2)3)28(45)37-18(5)31-39-21(14-50-31)32-38-20(13-51-32)27(36)44/h8-17,23-24H,5,7H2,1-4,6H3,(H2,36,44)(H,37,45)(H,41,46)(H,42,47)
InChIKey: LNXCNAKRXKEHQH-UHFFFAOYSA-N
Reference
Mechercharmycins A and B, Cytotoxic Substances from Marine-derived Thermoactinomyces sp. YM3-251
PubChem CID: 11592892
LOTUS: LTS0138119
COCONUT: CNP0353455.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thermoactinomyces sp. | Thermoactinomyces | Thermoactinomycetaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 728.7190000000002
TPSA？: 272.2699999999999
MolLogP？: 6.637370000000006
Number of H-Donors: 5
Number of H-Acceptors: 14
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|