| Properties | Image |
|---|
| MNX_ID | MNXM1172904 |
 |
| reference | envipathM:...2d3f0ab9cfe4 |
| formula | C27H35N3O5 |
| global charge | 0 |
| mol weight | 481.593 |
| InChIKey | NASSXCOTOFKGCT-UHFFFAOYSA-N |
| InChI | InChI=1S/C27H35N3O5/c1-5-6-7-8-11-19(31)17-35-25(33)16-24(32)18-14-20(27(2,3)4)26(34)23(15-18)30-28-21-12-9-10-13-22(21)29-30/h9-10,12-15,24,32,34H,5-8,11,16-17H2,1-4H3 |
| SMILES | CCCCCCC(=O)COC(=O)CC(O)C1=CC(N2N=C3C=CC=CC3=N2)=C(O)C(C(C)(C)C)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C27H35N3O5/c1-5-6-7-8-11-19(31)17-35-25(33)16-24(32)18-14-20(27(2,3)4)26(34)23(15-18)30-28-21-12-9-10-13-22(21)29-30/h9-10,12-15,24,32,34H,5-8,11,16-17H2,1-4H3/t24? |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:11][C:19]([CH2:17][O:35][C:25]([CH2:16][CH:24]([C:18]1=[CH:14][C:20]([C:27]([CH3:2])([CH3:3])[CH3:4])=[C:26]([OH:34])[C:23]([N:30]2[N:28]=[C:21]3[CH:12]=[CH:9][CH:10]=[CH:13][C:22]3=[N:29]2)=[CH:15]1)[OH:32])=[O:33])=[O:31] |
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