| Properties | Image |
|---|
| MNX_ID | MNXM741290 |
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| reference | sabiorkM:7380 |
| formula | C35H35MgN4O4 |
| global charge | 1 |
| mol weight | 599.994 |
| InChIKey | URVKSRIHRHKVRW-NCCDZXNNSA-M |
| InChI | InChI=1S/C35H36N4O4.Mg/c1-8-22-18(3)26-14-27-20(5)24(10-12-34(40)41)32(38-27)17-33-25(11-13-35(42)43-7)21(6)29(39-33)16-31-23(9-2)19(4)28(37-31)15-30(22)36-26;/h8-9,14-17H,1-2,10-13H2,3-7H3,(H3,36,37,38,39,40,41);/q;+2/p-1/b26-14-,27-14-,28-15-,29-16-,30-15-,31-16-,32-17-,33-17-; |
| SMILES | C=CC1=C2/C=C3\N=C(/C=C4\N=C(/C=C5[N-]C(=C\C(=C1C)N2)/C(C=C)=C\5C)C(C)=C4CCC(=O)O)C(CCC(=O)OC)=C3C.[Mg+2] |
MNX internals
| InChI (mnx) | InChI=1/C35H36N4O4.Mg/c1-8-22-18(3)26-14-27-20(5)24(10-12-34(40)41)32(38-27)17-33-25(11-13-35(42)43-7)21(6)29(39-33)16-31-23(9-2)19(4)28(37-31)15-30(22)36-26;/h8-9,14-17H,1-2,10-13H2,3-7H3,(H3,36,37,38,39,40,41);/q;+2/b26-14-,27-14-,28-15-,29-16?,30-15?,31-16-,32-17?,33-17-; |
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| SMILES (mnx) | [CH2:1]=[CH:8][C:22]1=[C:18]([CH3:3])/[C:26]2=[CH:14]/[C:27]3=[N:38][C:32](=[CH:17][C:33]4=[N:39][C:29](=[CH:16][C:31]5=[C:23]([CH:9]=[CH2:2])[C:19]([CH3:4])=[C:28]([CH:15]=[C:30]1[N-:36]2)[NH2+:37]5)[C:21]([CH3:6])=[C:25]4[CH2:11][CH2:13][C:35](=[O:42])[O:43][CH3:7])[C:24]([CH2:10][CH2:12][C:34](=[O:40])[OH:41])=[C:20]3[CH3:5].[Mg+2:44] |
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