| Properties | Image |
|---|
| MNX_ID | MNXM1363681 |
 |
| reference | seedM:cpd33265 |
| formula | C35H35N4O6 |
| global charge | -1 |
| mol weight | 607.687 |
| InChIKey | WCHYVHMQLSGPFA-QEMXOEOXSA-M |
| InChI | InChI=1S/C35H36N4O6/c1-8-18-15(4)29-33-35(45-33)20(9-2)16(5)23(39-35)12-21-14(3)19(10-11-25(40)41)30(36-21)27-28(34(43)44-7)32(42)26-17(6)22(37-31(26)27)13-24(18)38-29/h9,12-14,19,33,37,39H,8,10-11H2,1-7H3,(H,40,41)/p-1/t14-,19-,33?,35?/m0/s1 |
| SMILES | CC=C1C(C)=C2C=C3N=C(C4=C(C(=O)OC)C(=O)C5=C4NC(=C5C)C=C4N=C(C(C)=C4CC)C4OC14N2)[C@@H](CCC(=O)[O-])[C@@H]3C |
MNX internals
| InChI (mnx) | InChI=1/C35H36N4O6/c1-8-18-15(4)29-33-35(45-33)20(9-2)16(5)23(39-35)12-21-14(3)19(10-11-25(40)41)30(36-21)27-28(34(43)44-7)32(42)26-17(6)22(37-31(26)27)13-24(18)38-29/h9,12-14,19,33,37,39H,8,10-11H2,1-7H3,(H,40,41)/b20-9?,21-12?,24-13?/t14-,19-,33?,35?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:8][C:18]1=[C:15]([CH3:4])[C:29]2=[N:38][C:24]1=[CH:13][C:22]1=[C:17]([CH3:6])[C:26]3=[C:31]([C:27](=[C:28]([C:34](=[O:43])[O:44][CH3:7])[C:32]3=[O:42])[C:30]3=[N:36][C:21](=[CH:12][C:23]4=[C:16]([CH3:5])[C:20](=[CH:9][CH3:2])[C:35]5([CH:33]2[O:45]5)[NH:39]4)[C@@H:14]([CH3:3])[C@@H:19]3[CH2:10][CH2:11][C:25](=[O:40])[OH:41])[NH:37]1 |
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