Myropeptin B
AlkaPlorer ID: AK123230
Synonym: None
IUPAC Name: 2-[[2-[[2-[3-[[2-[[2-[[(2S)-2-[3-[[2-[[(2S)-2-[[(2S)-1-[2-[[2-[[(2S)-1-[2-[[2-[[(2S)-1-[2-(dodecanoylamino)-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoylamino]propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid
Structure
SMILES: CCCCCCCCCCCC(O)=NC(C)(C)C(=O)N1CCC[C@H]1C(O)=NC(C)(C)C(O)=NC(C)(C)C(=O)N1CCC[C@H]1C(O)=NC(C)(C)C(O)=NC(C)(C)C(=O)N1CCC[C@H]1C(O)=N[C@@H](C)C(O)=NC(C)(C)C(O)=NCCC(O)=N[C@@H](C)C(O)=NC(C)(C)C(O)=NC(C)(C)C(O)=NCCC(O)=NC(C)(C)C(O)=NC(C)(C)C(O)=NC(C)(C)C(=O)O
InChI: InChI=1S/C83H142N18O20/c1-26-27-28-29-30-31-32-33-34-41-55(103)89-80(18,19)69(117)100-47-36-39-52(100)60(108)92-78(14,15)67(115)97-82(22,23)71(119)101-48-37-40-53(101)61(109)93-77(12,13)66(114)96-81(20,21)70(118)99-46-35-38-51(99)59(107)87-50(3)58(106)90-73(4,5)62(110)84-44-42-54(102)86-49(2)57(105)91-76(10,11)65(113)94-74(6,7)63(111)85-45-43-56(104)88-75(8,9)64(112)95-79(16,17)68(116)98-83(24,25)72(120)121/h49-53H,26-48H2,1-25H3,(H,84,110)(H,85,111)(H,86,102)(H,87,107)(H,88,104)(H,89,103)(H,90,106)(H,91,105)(H,92,108)(H,93,109)(H,94,113)(H,95,112)(H,96,114)(H,97,115)(H,98,116)(H,120,121)/t49-,50-,51-,52-,53-/m0/s1
InChIKey: JOSZEHOSQKJAHT-QDDNDEIWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Myrothecium | Stachybotryaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1712.1549999999986
TPSA？: 587.0800000000003
MolLogP？: 13.4342
Number of H-Donors: 16
Number of H-Acceptors: 19
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|