Decanoyl-Trp-(D-Asn)-Asp-Thr-Gly-Orn-Asp-(D-Ala)-OH Trifluoroacetic Acid Salt

Decanoyl-Trp-(D-Asn)-Asp-Thr-Gly-Orn-Asp-(D-Ala)-OH Trifluoroacetic Acid Salt

• Synonyms: Daptomycin Impurity B1-II; (2R,5S,8S,17S)-17-((R)-4-Amino-2-((S)-2-decanamido-3-(1H-indol-3-yl)propanamido)-4-oxobutanamido)-8-(3-aminopropyl)-5-(carboxymethyl)-14-((R)-1-hydroxyethyl)-2-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazanonadecane-1,19-dioic Trifluoroacetic Acid Salt; Decanoyl-Trp-(D-Asn)-Asp-Thr-Gly-Orn-Asp-(D-Ala)-OH Trifluoroacetic Acid Salt;
• Hazard Statement: No Data Available
• Smiles: O=C(CCCCCCCCC)N[C@H](C(N[C@H](CC(N)=O)C(N[C@@H](CC(O)=O)C(NC(C(NCC(N[C@@H](CCCN)C(N[C@@H](CC(O)=O)C(N[C@@H](C(O)=O)C)=O)=O)=O)=O)[C@H](O)C)=O)=O)=O)CC1=CNC2=C1C=CC=C2.OC(C(F)(F)F)=O
• Molecular Formula: C47H71N11O16 • (C2HF3O2)
• Molecular Weight: 1160.15
• InChI: InChI=1S/C47H71N11O16.C2HF3O2/c1-4-5-6-7-8-9-10-17-36(61)54-31(19-27-23-50-29-15-12-11-14-28(27)29)43(69)55-32(20-35(49)60)44(70)57-34(22-39(65)66)45(71)58-40(26(3)59)46(72)51-24-37(62)53-30(16-13-18-48)41(67)56-33(21-38(63)64)42(68)52-25(2)47(73)74;3-2(4,5)1(6)7/h11-12,14-15,23,25-26,30-34,40,50,59H,4-10,13,16-22,24,48H2,1-3H3,(H2,49,60)(H,51,72)(H,52,68)(H,53,62)(H,54,61)(H,55,69)(H,56,67)(H,57,70)(H,58,71)(H,63,64)(H,65,66)(H,73,74);(H,6,7)/t25-,26-,30+,31+,32-,33+,34+,40?;/m1./s1
• Additionnal Information: IUPAC name: (2R,5S,8S,17S)-17-((R)-4-amino-2-((S)-2-decanamido-3-(1H-indol-3-yl)propanamido)-4-oxobutanamido)-8-(3-aminopropyl)-5-(carboxymethyl)-14-((R)-1-hydroxyethyl)-2-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazanonadecanedioic acid 2,2,2-trifluoroacetic acid
• Shipping Conditions: Room Temperature
• Storage Conditions: +4°C