Compound Details

 Compound-ID 8240
 Common Name Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutaminyl-L-lysyl-D-alanyl-D-alanine
 InChI InChI=1/C94H157N9O25P2/c1-59(2)31-21-32-60(3)33-22-34-61(4)35-23-36-62(5)37-24-38-63(6)39-25-40-64(7)41-26-42-65(8)43-27-44-66(9)45-28-46-67(10)47-29-48-68(11)49-30-50-69(12)54-56-122-129(118,119)128-130(120,121)127-94-82(101-75(18)107)86(85(79(58-105)125-94)126-93-81(100-74(17)106)84(110)83(109)78(57-104)124-93)123-73(16)89(113)97-71(14)88(112)102-77(52-53-80(96)108)91(115)103-76(51-19-20-55-95)90(114)98-70(13)87(111)99-72(15)92(116)117/h31,33,35,37,39,41,43,45,47,49,54,70-73,76-79,81-86,93-94,104-105,109-110H,19-30,32,34,36,38,40,42,44,46,48,50-53,55-58,95H2,1-18H3,(H2,96,108)(H,97,113)(H,98,114)(H,99,111)(H,100,106)(H,101,107)(H,102,112)(H,103,115)(H,116,117)(H,118,119)(H,120,121)/b60-33+,61-35+,62-37+,63-39+,64-41+,65-43+,66-45+,67-47+,68-49+,69-54+/t70-,71+,72-,73?,76+,77-,78-,79-,81-,82-,83-,84-,85-,86-,93+,94u/m1/s1
 SMILES CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(O)(=O)OP(O)(=O)OC2OC(CO)C(OC1OC(CO)C(O)C(O)C1(NC(C)=O))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(C)C(O)=O)C2(NC(C)=O)
 External Links
 PUBCHEM-ID 8178


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