compound 0288501

Properties Image Occurences in reactions MNX_ID MNXM1154320 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C49H70N10O13 charge -2 mass 1006.51348 reference envipathM:...84c4b24eb8df InChIKey INNGFBIUTROFIS-KXOMVSFLSA-L InChI InChI=1S/C49H72N10O13/c1-25(2)22-35-45(66)57-39(48(70)71)29(6)42(63)58-40(36(60)20-21-52-49(50)51)46(67)54-33(17-16-26(3)23-27(4)37(72-10)24-32-14-12-11-13-15-32)28(5)41(62)55-34(47(68)69)18-19-38(61)59(9)31(8)44(65)53-30(7)43(64)56-35/h11-17,23,25,27-30,33-35,37,39-40H,8,18-22,24H2,1-7,9-10H3,(H,53,65)(H,54,67)(H,55,62)(H,56,64)(H,57,66)(H,58,63)(H,68,69)(H,70,71)(H4,50,51,52)/p-2/b17-16+,26-23+/t27-,28-,29-,30+,33-,34+,35-,37-,39+,40-/m0/s1 SMILES C=C1C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])[C@H](C)C(=O)N[C@@H](C(=O)CCN=C(N)N)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](Cc2ccccc2)OC)[C@H](C)C(=O)N[C@@H](C(=O)[O-])CCC(=O)N1C

Parent-child relations graph

Deprecated MNXref IDs graph