N-Desdecanoyl, N-(Dodeca-2,6,9-trienoyl) Daptomycin Trifluoroacetic Acid

N-Desdecanoyl, N-(Dodeca-2,6,9-trienoyl) Daptomycin Trifluoroacetic Acid

• Hazard Statement: No Data Available
• Smiles: C[C@H](C(N[C@H](C(NCC(N[C@@H](C(N[C@]([H])1[C@H](C)CC(O)=O)=O)CO)=O)=O)CC(O)=O)=O)NC([C@@H](NC([C@@H](NC(CNC([C@H]([C@H](OC([C@@H](NC1=O)CC(C2=CC=CC=C2N)=O)=O)C)NC([C@@H](NC([C@@H](NC([C@H](CC3=CNC4=C3C=CC=C4)NC(/C=C/CC/C=C\C/C=C\CC)=O)=O)CC(N)=O)=O)CC(O)=O)=O)=O)=O)CCCN)=O)CC(O)=O)=O.[CF3COOH]
• Molecular Formula: C74 H99 N17 O26 • x(C H3 C O O H)
• Molecular Weight: 1756.72
• InChI: InChI=1S/C74H99N17O26.C2HF3O2/c1-5-6-7-8-9-10-11-12-13-24-55(95)83-46(27-40-33-78-44-22-17-15-19-41(40)44)68(110)86-47(29-54(77)94)69(111)88-50(32-61(104)105)70(112)91-63-39(4)117-74(116)51(28-53(93)42-20-14-16-21-43(42)76)89-73(115)62(37(2)26-58(98)99)90-71(113)52(36-92)84-57(97)34-79-65(107)48(30-59(100)101)85-64(106)38(3)81-67(109)49(31-60(102)103)87-66(108)45(23-18-25-75)82-56(96)35-80-72(63)114;3-2(4,5)1(6)7/h6-7,9-10,13-17,19-22,24,33,37-39,45-52,62-63,78,92H,5,8,11-12,18,23,25-32,34-36,75-76H2,1-4H3,(H2,77,94)(H,79,107)(H,80,114)(H,81,109)(H,82,96)(H,83,95)(H,84,97)(H,85,106)(H,86,110)(H,87,108)(H,88,111)(H,89,115)(H,90,113)(H,91,112)(H,98,99)(H,100,101)(H,102,103)(H,104,105);(H,6,7)/b7-6-,10-9-,24-13+;/t37-,38-,39-,45+,46+,47+,48+,49+,50+,51+,52-,62+,63+;/m1./s1