N-Desdecanoyl, N-(3-Hydroxy-6-en-dodecanoyl) Daptomycin Trifluoroacetic Acid

N-Desdecanoyl, N-(3-Hydroxy-6-en-dodecanoyl) Daptomycin Trifluoroacetic Acid

• Hazard Statement: No Data Available
• Smiles: C[C@@H](NC([C@H](CC(O)=O)NC([C@H](CCCN)NC(CNC([C@@H](NC([C@H](CC(O)=O)NC([C@H](CC(N)=O)NC([C@@H](NC(CC(O)CC/C=C\CCCCC)=O)CC1=CNC2=C1C=CC=C2)=O)=O)=O)[C@@H](C)OC([C@H](CC(C3=CC=CC=C3N)=O)N4)=O)=O)=O)=O)=O)C(N[C@@H](CC(O)=O)C(NCC(N[C@H](CO)C(N[C@]([C@@H](CC(O)=O)C)([H])C4=O)=O)=O)=O)=O.[CF3COOH]
• Molecular Formula: C74 H103 N17 O27 • x(C F3 C O O H)
• Molecular Weight: 1776.75
• InChI: InChI=1S/C74H103N17O27.C2HF3O2/c1-5-6-7-8-9-10-11-17-40(93)26-55(96)83-46(25-39-32-78-44-21-15-13-18-41(39)44)68(111)86-47(28-54(77)95)69(112)88-50(31-61(105)106)70(113)91-63-38(4)118-74(117)51(27-53(94)42-19-12-14-20-43(42)76)89-73(116)62(36(2)24-58(99)100)90-71(114)52(35-92)84-57(98)33-79-65(108)48(29-59(101)102)85-64(107)37(3)81-67(110)49(30-60(103)104)87-66(109)45(22-16-23-75)82-56(97)34-80-72(63)115;3-2(4,5)1(6)7/h9-10,12-15,18-21,32,36-38,40,45-52,62-63,78,92-93H,5-8,11,16-17,22-31,33-35,75-76H2,1-4H3,(H2,77,95)(H,79,108)(H,80,115)(H,81,110)(H,82,97)(H,83,96)(H,84,98)(H,85,107)(H,86,111)(H,87,109)(H,88,112)(H,89,116)(H,90,114)(H,91,113)(H,99,100)(H,101,102)(H,103,104)(H,105,106);(H,6,7)/b10-9-;/t36-,37-,38-,40?,45+,46+,47+,48+,49+,50+,51+,52-,62+,63+;/m1./s1