Daptomycin Impurity B1-I

Ref. TR-D193355

Product Information

• Name: Daptomycin Impurity B1-I
• Synonyms: Decanoyl-Trp-(D-Asn)-Asp-Thr-Gly-Orn-Asp-OH Trifluoroacetic Acid Salt, (5S,14S)-14-((R)-4-Amino-2-((S)-2-decanamido-3-(1H-indol-3-yl)propanamido)-4-oxobutanamido)-5-(3-aminopropyl)-11-((R)-1-hydroxyethyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecane-1,2,15-tricarboxylic Acid Trifluoroacetic Acid Salt
• Brand: TRC
• Description: Applications Daptomycin Impurity B1-1 is an impurity of Daptomycin (D193350), cyclic lipopeptide antibiotic derived from a fermentation product of Streptomyces roseosporus; disrupts plasma membrane function in gram-positive bacteria. Antibacterial.References Allen, N.E., et al.: Antimicrob. Agents Chemother., 31, 1093 (1987), Tully, F.P., et al.: Expert Opin. Invest. Drugs, 8, 1223 (1999),

Chemical properties

• Molecular weight: 975.0511402
• Formula: C₄₄H₆₆N₁₀O₁₅•(C₂HF₃O₂)
• Color/Form: Off White Solid
• InChI: InChI=1S/C44H66N10O15.CHF3.CH2O2/c1-3-4-5-6-7-8-9-16-34(57)50-29(18-25-22-47-27-14-11-10-13-26(25)27)40(64)51-30(19-33(46)56)41(65)52-31(20-36(59)60)42(66)54-38(24(2)55)43(67)48-23-35(58)49-28(15-12-17-45)39(63)53-32(44(68)69)21-37(61)62;2-1(3)4;2-1-3/h10-11,13-14,22,24,28-32,38,47,55H,3-9,12,15-21,23,45H2,1-2H3,(H2,46,56)(H,48,67)(H,49,58)(H,50,57)(H,51,64)(H,52,65)(H,53,63)(H,54,66)(H,59,60)(H,61,62)(H,68,69);1H;1H,(H,2,3)/t24?,28-,29-,30+,31-,32?,38?;;/m0../s1
• InChI key: InChIKey=JTEZDOPESRIQKX-WROMBOGMSA-N
• SMILES: CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)NC(C(=O)NCC(=O)N[C@@H](CCCN)C(=O)NC(CC(=O)O)C(=O)O)C(C)O.F[C](F)F.O=CO