Fuscachelin B; 32→25 Lactone
AlkaPlorer ID: AK298893
Synonym: Fuscachelin A
IUPAC Name: N-[5-(diaminomethylideneamino)-1-[[2-[[2-[[3-[[2-[[2-[[5-(diaminomethylideneamino)-2-[(2,3-dihydroxybenzoyl)amino]pentanoyl]amino]acetyl]amino]acetyl]amino]-5-hydroxy-4,10-dioxo-1,5-oxazecan-9-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]-2,3-dihydroxybenzamide
Structure
SMILES: N=C(N)NCCCC(N=C(O)C1=CC=CC(O)=C1O)C(O)=NCC(O)=NCC(O)=NC1CCCN(O)C(=O)C(N=C(O)CN=C(O)CN=C(O)C(CCCNC(=N)N)N=C(O)C2=CC=CC(O)=C2O)COC1=O
InChI: InChI=1S/C42H59N15O16/c43-41(44)47-13-3-8-23(55-35(66)21-6-1-11-27(58)33(21)64)37(68)51-16-29(60)49-18-31(62)53-25-10-5-15-57(72)39(70)26(20-73-40(25)71)54-32(63)19-50-30(61)17-52-38(69)24(9-4-14-48-42(45)46)56-36(67)22-7-2-12-28(59)34(22)65/h1-2,6-7,11-12,23-26,58-59,64-65,72H,3-5,8-10,13-20H2,(H,49,60)(H,50,61)(H,51,68)(H,52,69)(H,53,62)(H,54,63)(H,55,66)(H,56,67)(H4,43,44,47)(H4,45,46,48)
InChIKey: JCLPEMGCTLBLJE-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thermobifida fusca | Thermobifida | Nocardiopsaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1030.0229999999997
TPSA？: 532.2800000000002
MolLogP？: 0.1131400000000121
Number of H-Donors: 19
Number of H-Acceptors: 18
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|