| Properties | Image |
|---|
| MNX_ID | MNXM1197304 |
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| reference | envipathM:...29444a09378d |
| formula | C27H35N3O6 |
| global charge | 0 |
| mol weight | 497.592 |
| InChIKey | CUXDTWFOTCOZMK-UHFFFAOYSA-N |
| InChI | InChI=1S/C27H35N3O6/c1-27(2,3)20-14-18(15-23(25(20)34)30-28-21-11-7-8-12-22(21)29-30)16-24(33)26(35)36-17-19(32)10-6-4-5-9-13-31/h7-8,11-12,14-15,19,31-32,34H,4-6,9-10,13,16-17H2,1-3H3 |
| SMILES | CC(C)(C)C1=CC(CC(=O)C(=O)OCC(O)CCCCCCO)=CC(N2N=C3C=CC=CC3=N2)=C1O |
MNX internals
| InChI (mnx) | InChI=1/C27H35N3O6/c1-27(2,3)20-14-18(15-23(25(20)34)30-28-21-11-7-8-12-22(21)29-30)16-24(33)26(35)36-17-19(32)10-6-4-5-9-13-31/h7-8,11-12,14-15,19,31-32,34H,4-6,9-10,13,16-17H2,1-3H3/t19? |
 |
| SMILES (mnx) | [CH3:1][C:27]([CH3:2])([CH3:3])[C:20]1=[C:25]([OH:34])[C:23]([N:30]2[N:28]=[C:21]3[CH:11]=[CH:7][CH:8]=[CH:12][C:22]3=[N:29]2)=[CH:15][C:18]([CH2:16][C:24]([C:26](=[O:35])[O:36][CH2:17][CH:19]([CH2:10][CH2:6][CH2:4][CH2:5][CH2:9][CH2:13][OH:31])[OH:32])=[O:33])=[CH:14]1 |
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