| Properties | Image |
|---|
| MNX_ID | MNXM1189069 |
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| reference | envipathM:...02f395d9a790 |
| formula | C26H35N3O5 |
| global charge | 0 |
| mol weight | 469.582 |
| InChIKey | ROHUQHDNKZZAMJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C26H35N3O5/c1-6-26(5,33)12-9-13-34-23(31)16-22(30)17-14-18(25(2,3)4)24(32)21(15-17)29-27-19-10-7-8-11-20(19)28-29/h7-8,10-11,14-15,22,30,32-33H,6,9,12-13,16H2,1-5H3 |
| SMILES | CCC(C)(O)CCCOC(=O)CC(O)C1=CC(N2N=C3C=CC=CC3=N2)=C(O)C(C(C)(C)C)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C26H35N3O5/c1-6-26(5,33)12-9-13-34-23(31)16-22(30)17-14-18(25(2,3)4)24(32)21(15-17)29-27-19-10-7-8-11-20(19)28-29/h7-8,10-11,14-15,22,30,32-33H,6,9,12-13,16H2,1-5H3/t22?,26? |
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| SMILES (mnx) | [CH3:1][CH2:6][C:26]([CH3:5])([CH2:12][CH2:9][CH2:13][O:34][C:23]([CH2:16][CH:22]([C:17]1=[CH:14][C:18]([C:25]([CH3:2])([CH3:3])[CH3:4])=[C:24]([OH:32])[C:21]([N:29]2[N:27]=[C:19]3[CH:10]=[CH:7][CH:8]=[CH:11][C:20]3=[N:28]2)=[CH:15]1)[OH:30])=[O:31])[OH:33] |
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