Enterocin EJ97
AlkaPlorer ID: AK325968
Synonym: None
IUPAC Name: 1-[2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[2-[[6-amino-2-[2-[[2-[(2-amino-4-methylsulfanylbutanoyl)amino]-4-methylpentanoyl]amino]propanoylamino]hexanoyl]amino]acetyl]amino]-4-methylsulfanylbutanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]-N-[4-amino-1-[2-[[1-[[3-hydroxy-1-[(4-methyl-1-oxopentan-2-yl)amino]-1-oxobutan-2-yl]amino]-3-(4-methylphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]pyrrolidine-2-carboxamide
Structure
SMILES: CCC(C)C(N=C(O)C(CCSC)N=C(O)CN=C(O)C(CCCCN)N=C(O)C(C)N=C(O)C(CC(C)C)N=C(O)C(N)CCSC)C(O)=NC(CCCCN)C(O)=NC(CCCCN)C(O)=NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(O)=NC(CC(=N)O)C(=O)N1CCCC1C(O)=NC(CC1=CC=C(C)C=C1)C(O)=NC(C(O)=NC(C=O)CC(C)C)C(C)O
InChI: InChI=1S/C88H144N20O18S2/c1-12-54(7)73(105-80(118)64(36-43-128-11)97-72(112)49-94-77(115)61(26-16-19-37-89)98-75(113)55(8)95-81(119)65(45-52(4)5)101-76(114)60(92)35-42-127-10)85(123)100-63(28-18-21-39-91)78(116)99-62(27-17-20-38-90)79(117)103-67(47-57-24-14-13-15-25-57)87(125)107-40-23-30-70(107)84(122)104-68(48-71(93)111)88(126)108-41-22-29-69(108)83(121)102-66(46-58-33-31-53(6)32-34-58)82(120)106-74(56(9)110)86(124)96-59(50-109)44-51(2)3/h13-15,24-25,31-34,50-52,54-56,59-70,73-74,110H,12,16-23,26-30,35-49,89-92H2,1-11H3,(H2,93,111)(H,94,115)(H,95,119)(H,96,124)(H,97,112)(H,98,113)(H,99,116)(H,100,123)(H,101,114)(H,102,121)(H,103,117)(H,104,122)(H,105,118)(H,106,120)
InChIKey: GJEPXAJQTZPUNG-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Enterococcus faecalis | Enterococcus | Enterococcaceae | Lactobacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 1834.376
TPSA？: 649.7500000000002
MolLogP？: 10.503689999999992
Number of H-Donors: 20
Number of H-Acceptors: 24
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|