Dolastatin 12

Properties Image Occurences in reactions MNX_ID MNXM104680 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C50H80N8O11 charge 0 mass 968.59466 reference chebi:69192 InChIKey MLDFWFKDAWCBSV-JXVYMESPSA-N InChI InChI=1S/C50H80N8O11/c1-17-30(7)41-46(65)52-26-38(59)56(14)36(24-28(3)4)44(63)51-27-39(60)58(16)40(29(5)6)47(66)57(15)37(25-34-22-20-19-21-23-34)45(64)53-32(9)42(61)50(11,12)49(68)55(13)33(10)43(62)54-35(18-2)31(8)48(67)69-41/h19-23,28-33,35-37,40-41H,17-18,24-27H2,1-16H3,(H,51,63)(H,52,65)(H,53,64)(H,54,62)/t30-,31-,32-,33-,35+,36-,37-,40-,41-/m0/s1 SMILES CC[C@H](C)[C@@H]1OC(=O)[C@@H](C)[C@@H](CC)NC(=O)[C@H](C)N(C)C(=O)C(C)(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)CNC(=O)[C@H](CC(C)C)N(C)C(=O)CNC1=O

Parent-child relations graph

Deprecated MNXref IDs graph