Description
A family of depsipeptide ionophores, produced by several fusarium species. It has antibiotic properties. It is a cytotoxic and insecticidal agent.
Synonyms
2-(N-Methyl-L-isoleucine)enniatin B; Cyclo[(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-isoleucyl-(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-valyl-(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-valyl]; cyclo[N-methyl-L-isoleucyl-N-oxa-D-valyl-N-methyl-L-valyl-N-oxa-D-valyl-N-methyl-L-valyl-N-oxa-D-valyl]
IUPAC Name
(3S,6R,9S,12R,15S,18R)-3-[(2S)-butan-2-yl]-4,10,16-trimethyl-6,9,12,15,18-penta(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
Molecular Formula
C34H59N3O9
Canonical SMILES
CCC(C)C1C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N1C)C(C)C)C(C)C)C)C(C)C)C(C)C)C)C(C)C
InChI
InChI=1S/C34H59N3O9/c1-16-22(12)25-34(43)46-27(20(8)9)30(39)36(14)23(17(2)3)32(41)44-26(19(6)7)29(38)35(13)24(18(4)5)33(42)45-28(21(10)11)31(40)37(25)15/h17-28H,16H2,1-15H3/t22-,23-,24-,25-,26+,27+,28+/m0/s1
InChIKey
UQCSETXJXJTMKO-UMURLBKASA-N
Boiling Point
833.8±65.0°C (Predicted)
Density
1.031±0.06 g/cm3 (Predicted)
Solubility
Soluble in Ethanol, Methanol, DMF, DMSO; Poorly soluble in Water
pKa
-1.45±0.70(Predicted)