Niphimycin C
AlkaPlorer ID: AK056290
Synonym: None
IUPAC Name: 3-oxo-3-[[(1R,3R,5S,7R,8S,9R,10E,12E,14S,15R,18R,19R,20E,22S,23R,25S,26R,27S,30S,31R,33S,34R,35S)-3,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,14,18,22,26,30-hexamethyl-15-[(E,2S,4S)-4-methyl-12-[(N'-methylcarbamimidoyl)amino]dodec-8-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-5-yl]oxy]propanoic acid
Structure
SMILES: CNC(=N)NCCC/C=C/CCC[C@H](C)C[C@H](C)[C@H]1OC(=O)[C@H](C)[C@H](O)/C=C/[C@H](C)[C@H](O)C[C@H](O)[C@H](C)[C@@H](O)CC[C@H](C)[C@H](O)C[C@]2(O)O[C@H](C[C@@H](O)C[C@H](OC(=O)CC(=O)O)C[C@@H](O)[C@H](C)[C@H](O)/C=C/C=C/[C@@H]1C)C[C@H](O)[C@H]2O
InChI: InChI=1S/C59H103N3O18/c1-34(18-14-12-10-11-13-17-25-62-58(60)61-9)26-38(5)55-37(4)19-15-16-20-45(64)39(6)49(68)29-43(78-54(74)32-53(72)73)27-42(63)28-44-30-51(70)56(75)59(77,80-44)33-52(71)36(3)22-23-46(65)40(7)50(69)31-48(67)35(2)21-24-47(66)41(8)57(76)79-55/h10-11,15-16,19-21,24,34-52,55-56,63-71,75,77H,12-14,17-18,22-23,25-33H2,1-9H3,(H,72,73)(H3,60,61,62)/b11-10+,19-15+,20-16+,24-21+/t34-,35-,36-,37-,38-,39+,40+,41+,42-,43-,44+,45+,46-,47+,48+,49+,50-,51-,52+,55-,56+,59-/m0/s1
InChIKey: XUFXJNAQSHPBTO-IVEPKIRNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. IMB7-145 | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1142.476
TPSA？: 369.5700000000001
MolLogP？: 3.5134700000000074
Number of H-Donors: 15
Number of H-Acceptors: 18
RingCount: 2