| Properties | Image |
|---|
| MNX_ID | MNXM738917 |
 |
| reference | seedM:cpd01845 |
| formula | C35H31MgN4O5 |
| global charge | -1 |
| mol weight | 611.961 |
| InChIKey | QBPCOMNNISRCTC-KKNVGXODSA-K |
| InChI | InChI=1S/C35H34N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8,12-14,31H,1,9-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-3/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-;/t31-;/m1./s1 |
| SMILES | C=CC1=C(C)/C2=C/C3=N/C(=C4\C5=C(C(=O)[C@@H]4C(=O)OC)C(C)=C4/C=C6\N=C(/C=C/1N2[Mg]N45)C(C)=C6CC)C(CCC(=O)[O-])=C3C |
MNX internals
| InChI (mnx) | InChI=1/C35H34N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8,12-14,31H,1,9-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q;+2/b22-12-,23-13-,24-12-,25-14?,26-13?,27-14-,32-30?;/t31-;/m1./s1 |
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| SMILES (mnx) | [CH2:1]=[CH:8][C:19]1=[C:15]([CH3:3])/[C:22]2=[CH:12]/[C:24]3=[N:38][C:32](=[C:30]4[C@@H:31]([C:35](=[O:43])[O:44][CH3:7])[C:34](=[O:42])[C:29]5=[C:18]([CH3:6])[C:25](=[CH:14][C:27]6=[C:20]([CH2:9][CH3:2])[C:16]([CH3:4])=[C:23]([CH:13]=[C:26]1[N-:36]2)[NH2+:37]6)[N:39]=[C:33]54)[C:21]([CH2:10][CH2:11][C:28](=[O:40])[OH:41])=[C:17]3[CH3:5].[Mg+2:45] |
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