Grassypeptolide E

Properties Image Occurences in reactions MNX_ID MNXM105451 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C57H81N9O10S2 charge 0 mass 1115.55478 reference chebi:69190 InChIKey FKVLMCJKLNRPEK-SIWPDUPVSA-N InChI InChI=1S/C57H81N9O10S2/c1-13-39-49-59-40(30-77-49)51(70)63(10)42(27-32(2)3)47(68)61-45(36(8)67)48(69)58-35(7)34(6)55(74)76-44(29-38-23-18-15-19-24-38)53(72)65(12)46(33(4)5)54(73)66-26-20-25-41(66)52(71)64(11)43(28-37-21-16-14-17-22-37)50-62-57(9,31-78-50)56(75)60-39/h14-19,21-24,32-36,39-46,67H,13,20,25-31H2,1-12H3,(H,58,69)(H,60,75)(H,61,68)/t34-,35-,36-,39-,40+,41+,42+,43+,44+,45+,46+,57-/m1/s1 SMILES CC[C@H]1NC(=O)[C@@]2(C)CSC(=N2)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)OC(=O)[C@H](C)[C@@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]2CSC1=N2

Parent-child relations graph

Deprecated MNXref IDs graph