| Properties | Image |
|---|
| MNX_ID | MNXM726441 |
 |
| reference | chebi:133626 |
| formula | C34H38N4O4 |
| global charge | 0 |
| mol weight | 566.702 |
| InChIKey | UQVVDGKMSUMXBI-UJJXFSCMSA-N |
| InChI | InChI=1S/C34H38N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h13-16,35,38H,7-12H2,1-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16- |
| SMILES | CCC1=C(C)C2=N/C1=C\C1=C(C)C(CCC(=O)O)=C(/C=C3\N=C(/C=C4\N/C(=C\2)C(CC)=C4C)C(C)=C3CCC(=O)O)N1 |
MNX internals
| InChI (mnx) | InChI=1/C34H38N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h13-16,35,38H,7-12H2,1-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16- |
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| SMILES (mnx) | [CH3:1][CH2:7][C:21]1=[C:17]([CH3:3])/[C:25]2=[CH:13]/[C:26]3=[N:37]/[C:31](=[CH:16]\[C:32]4=[C:24]([CH2:10][CH2:12][C:34](=[O:41])[OH:42])[C:20]([CH3:6])=[C:28](/[CH:15]=[C:30]5/[C:22]([CH2:8][CH3:2])=[C:18]([CH3:4])[C:27](=[N:36]5)/[CH:14]=[C:29]/1[NH:35]2)[NH:38]4)[C:23]([CH2:9][CH2:11][C:33](=[O:39])[OH:40])=[C:19]3[CH3:5] |
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