Staphylococcus aureus Autoinducing peptide 4
AlkaPlorer ID: AK074112
Synonym: AIP 4
IUPAC Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-N-[9-benzyl-6-butan-2-yl-12-[(4-hydroxyphenyl)methyl]-3-(2-methylsulfanylethyl)-2,5,8,11,14-pentaoxo-1-thia-4,7,10,13-tetrazacyclohexadec-15-yl]-3-hydroxybutanamide
Structure
SMILES: CCC(C)C1NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC2=CC=C(O)C=C2)NC(=O)C(NC(=O)C(NC(=O)C(CO)NC(=O)C(N)CC2=CC=C(O)C=C2)C(C)O)CSC(=O)C(CCSC)NC1=O
InChI: InChI=1S/C48H64N8O12S2/c1-5-26(2)39-46(66)50-34(19-20-69-4)48(68)70-25-38(54-47(67)40(27(3)58)56-44(64)37(24-57)53-41(61)33(49)21-29-11-15-31(59)16-12-29)45(65)52-35(23-30-13-17-32(60)18-14-30)42(62)51-36(43(63)55-39)22-28-9-7-6-8-10-28/h6-18,26-27,33-40,57-60H,5,19-25,49H2,1-4H3,(H,50,66)(H,51,62)(H,52,65)(H,53,61)(H,54,67)(H,55,63)(H,56,64)
InChIKey: GFJAORMOUQQBTE-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Staphylococcus aureus | Staphylococcus | Staphylococcaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 1009.2179999999998
TPSA？: 327.71
MolLogP？: -0.7076999999999887
Number of H-Donors: 12
Number of H-Acceptors: 15
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|