| Properties | Image |
|---|
| MNX_ID | MNXM736581 |
 |
| reference | sabiorkM:2761 |
| formula | C55H73MgN4O5 |
| global charge | 1 |
| mol weight | 894.517 |
| InChIKey | SYHZSPMCAROBPW-AENOIHSZSA-M |
| InChI | InChI=1S/C55H74N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H2,56,57,58,59,61);/q;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1 |
| SMILES | C=CC1=C(C)/C2=C/C3=N/C(=C4\C5=N/C(=C\C6=C(CC)C(C)=C(/C=C/1N2)[N-]6)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]3C.[Mg+2] |
MNX internals
| InChI (mnx) | InChI=1/C55H74N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H2,56,57,58,59,61);/q;+2/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1 |
 |
| SMILES (mnx) | [CH2:1]=[CH:13][C:39]1=[C:35]([CH3:8])[C:42]2=[CH:28][C:44]3=[N:58][C:52](=[C:50]4[C@@H:51]([C:55](=[O:62])[O:63][CH3:12])[C:54](=[O:61])[C:49]5=[C:38]([CH3:11])[C:45](=[CH:30][C:47]6=[C:40]([CH2:14][CH3:2])[C:36]([CH3:9])=[C:43]([CH:29]=[C:46]1[N-:56]2)[NH2+:57]6)[N:59]=[C:53]54)[C@@H:41]([CH2:24][CH2:25][C:48](=[O:60])[O:64][CH2:27]/[CH:26]=[C:34](\[CH3:7])[CH2:23][CH2:17][CH2:22][C@H:33]([CH3:6])[CH2:21][CH2:16][CH2:20][C@H:32]([CH3:5])[CH2:19][CH2:15][CH2:18][CH:31]([CH3:3])[CH3:4])[C@@H:37]3[CH3:10].[Mg+2:65] |
|