N-Desdecanoyl, N-(8-Me-decanoyl) Daptomycin

Analyte Name

N-Desdecanoyl, N-(8-Me-decanoyl) Daptomycin

Molecular Formula

C73H103N17O26 • C2HF3O2

Molecular Weight

1748.74

Accurate Mass

1747.71

SMILES

O=C([C@H](NC([C@@H](NC([C@@H](NC(CNC([C@H]([C@H](OC([C@@H](N1)CC(C2=CC=CC=C2N)=O)=O)C)NC([C@@H](NC(C(NC([C@H](CC3=CNC4=C3C=CC=C4)NC(CCCCCCC(C)CC)=O)=O)CC(N)=O)=O)CC(O)=O)=O)=O)=O)CCCN)=O)CC(O)=O)=O)C)N[C@H](C(NCC(N[C@@H](C(N[C@]([H])(C1=O)[C@H](C)CC(O)=O)=O)CO)=O)=O)CC(O)=O.OC(C(F)(F)F)=O

InChI

InChI=1S/C73H103N17O26.C2HF3O2/c1-6-35(2)16-9-7-8-10-22-54(94)82-45(25-39-31-77-43-20-14-12-17-40(39)43)67(109)85-46(27-53(76)93)68(110)87-49(30-60(103)104)69(111)90-62-38(5)116-73(115)50(26-52(92)41-18-11-13-19-42(41)75)88-72(114)61(36(3)24-57(97)98)89-70(112)51(34-91)83-56(96)32-78-64(106)47(28-58(99)100)84-63(105)37(4)80-66(108)48(29-59(101)102)86-65(107)44(21-15-23-74)81-55(95)33-79-71(62)113;3-2(4,5)1(6)7/h11-14,17-20,31,35-38,44-51,61-62,77,91H,6-10,15-16,21-30,32-34,74-75H2,1-5H3,(H2,76,93)(H,78,106)(H,79,113)(H,80,108)(H,81,95)(H,82,94)(H,83,96)(H,84,105)(H,85,109)(H,86,107)(H,87,110)(H,88,114)(H,89,112)(H,90,111)(H,97,98)(H,99,100)(H,101,102)(H,103,104);(H,6,7)/t35?,36-,37-,38-,44+,45+,46?,47+,48+,49+,50+,51-,61+,62+;/m1./s1

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat