Delmitide acetate (USAN)

Properties Image Occurences in reactions MNX_ID MNXM48963 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C61H109N17O13 charge 0 mass 1287.83908 reference keggD:D08902 InChIKey LTDMAMSELCSERL-XCQJOGLYSA-N InChI InChI=1S/C59H105N17O11.C2H4O2/c1-7-13-22-40(51(81)68-36-48(78)69-47(49(61)79)35-37-29-31-38(77)32-30-37)71-53(83)42(24-15-9-3)73-55(85)44(26-17-11-5)75-57(87)46(28-20-34-67-59(64)65)76-56(86)45(27-18-12-6)74-54(84)43(25-16-10-4)72-52(82)41(23-14-8-2)70-50(80)39(60)21-19-33-66-58(62)63;1-2(3)4/h29-32,39-47,77H,7-28,33-36,60H2,1-6H3,(H2,61,79)(H,68,81)(H,69,78)(H,70,80)(H,71,83)(H,72,82)(H,73,85)(H,74,84)(H,75,87)(H,76,86)(H4,62,63,66)(H4,64,65,67);1H3,(H,3,4)/t39-,40-,41-,42-,43-,44-,45-,46-,47-;/m1./s1 SMILES CC(=O)O.CCCC[C@@H](NC(=O)[C@H](N)CCCNC(=N)N)C(=O)N[C@H](CCCC)C(=O)N[C@H](CCCC)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCC)C(=O)N[C@H](CCCC)C(=O)N[C@H](CCCC)C(=O)NCC(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O

Parent-child relations graph

Deprecated MNXref IDs graph