Chilenopeptin A
AlkaPlorer ID: AK103465
Synonym: None
IUPAC Name: (2S)-2-[[2-[[2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-N-[1-[[(2S)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]pentanediamide
Structure
SMILES: CC(O)=NC(C)(C)C(O)=N[C@@H](CO)C(O)=N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=NC(C)(C)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CC(C)C)C(O)=NC(C)(C)C(O)=NC(C)(C)C(O)=N[C@@H](CCC(=N)O)C(O)=NC(C)(C)C(O)=NC(C)(C)C(O)=N[C@@H](CCC(=N)O)C(O)=NC(C)(C)C(O)=N[C@@H](CC(C)C)C(O)=N[C@H](CO)CC1=CC=CC=C1
InChI: InChI=1S/C80H124N18O19/c1-43(2)36-53(60(104)84-48(41-99)38-46-26-21-20-22-27-46)89-68(112)75(8,9)92-62(106)51(31-33-58(81)102)87-69(113)76(10,11)96-71(115)78(14,15)93-63(107)52(32-34-59(82)103)88-70(114)77(12,13)97-72(116)79(16,17)94-64(108)54(37-44(3)4)86-66(110)57-30-25-35-98(57)73(117)80(18,19)95-65(109)55(39-47-40-83-50-29-24-23-28-49(47)50)85-61(105)56(42-100)90-67(111)74(6,7)91-45(5)101/h20-24,26-29,40,43-44,48,51-57,83,99-100H,25,30-39,41-42H2,1-19H3,(H2,81,102)(H2,82,103)(H,84,104)(H,85,105)(H,86,110)(H,87,113)(H,88,114)(H,89,112)(H,90,111)(H,91,101)(H,92,106)(H,93,107)(H,94,108)(H,95,109)(H,96,115)(H,97,116)/t48-,51-,52-,53-,54-,55-,56-,57-/m0/s1
InChIKey: TUSWWJFRALTCTP-SLHOBPQGSA-N
Reference
Chilenopeptins A and B, Peptaibols from the Chilean <i>Sepedonium</i> aff. <i>chalcipori</i> KSH 883
PubChem CID: 139589608
LOTUS: LTS0179624
{NPAtlas: NPA021927
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Sepedonium | Hypocreaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1641.9789999999991
TPSA？: 620.9800000000002
MolLogP？: 12.093139999999998
Number of H-Donors: 21
Number of H-Acceptors: 19
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|