Gloeosporiocide
AlkaPlorer ID: AK034656
Synonym: None
IUPAC Name: 2-[2-(1H-indol-3-yl)-1-[2-[[2-[2-phenyl-1-[[2-(1,3-thiazole-4-carbonylamino)acetyl]amino]ethyl]-1,3-thiazole-4-carbonyl]amino]propanoylamino]ethyl]-N-[2-[[2-(4-methylpentan-2-ylamino)-2-oxoethyl]amino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
Structure
SMILES: CC(C)CC(C)N=C(O)CN=C(O)CN=C(O)C1=CSC(C(CC2=CNC3=CC=CC=C23)N=C(O)C(C)N=C(O)C2=CSC(C(CC3=CC=CC=C3)N=C(O)CN=C(O)C3=CSC=N3)=N2)=N1
InChI: InChI=1S/C45H51N11O7S3/c1-25(2)14-26(3)51-38(58)19-47-37(57)18-48-42(62)35-22-65-45(55-35)33(16-29-17-46-31-13-9-8-12-30(29)31)54-40(60)27(4)52-43(63)36-23-66-44(56-36)32(15-28-10-6-5-7-11-28)53-39(59)20-49-41(61)34-21-64-24-50-34/h5-13,17,21-27,32-33,46H,14-16,18-20H2,1-4H3,(H,47,57)(H,48,62)(H,49,61)(H,51,58)(H,52,63)(H,53,59)(H,54,60)
InChIKey: BNBLCPHKNBMFQC-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces morookaense | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 954.1739999999998
TPSA？: 282.5899999999999
MolLogP？: 9.068300000000006
Number of H-Donors: 8
Number of H-Acceptors: 13
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|