For research use only. Not for therapeutic Use.
Autoinducing Peptide I is a cyclic octapeptide secreted by Staphylococcus aureus and can be used in vaccine research[1].
| Catalog Number | I040406 |
| CAS Number | 200010-29-3 |
| Synonyms | 2-[(3S,6S,9S,12S,15R)-15-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-9-benzyl-6-[(2S)-butan-2-yl]-3-(2-methylsulfanylethyl)-2,5,8,11,14-pentaoxo-1-thia-4,7,10,13-tetrazacyclohexadec-12-yl]acetic acid |
| Molecular Formula | C43H60N8O13S2 |
| Purity | ≥95% |
| InChI | InChI=1S/C43H60N8O13S2/c1-5-22(2)34-41(62)45-28(15-16-65-4)43(64)66-21-32(40(61)47-30(19-33(55)56)37(58)46-29(38(59)50-34)18-24-9-7-6-8-10-24)49-42(63)35(23(3)53)51-39(60)31(20-52)48-36(57)27(44)17-25-11-13-26(54)14-12-25/h6-14,22-23,27-32,34-35,52-54H,5,15-21,44H2,1-4H3,(H,45,62)(H,46,58)(H,47,61)(H,48,57)(H,49,63)(H,50,59)(H,51,60)(H,55,56)/t22-,23+,27-,28-,29-,30-,31-,32-,34-,35-/m0/s1 |
| InChIKey | QPIROHVZMLYRNN-YRNJLPRFSA-N |
| SMILES | CCC(C)C1C(=O)NC(C(=O)SCC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=CC=C2)CC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C(CC3=CC=C(C=C3)O)N)CCSC |
| Reference | [1]. Daly SM, et al. VLP-based vaccine induces immune control of Staphylococcus aureus virulence regulation. Sci Rep. 2017 Apr 4;7(1):637. |
