| Properties | Image |
|---|
| MNX_ID | MNXM160566 |
 |
| reference | chebi:32069 |
| formula | C23H33N3O8 |
| global charge | 0 |
| mol weight | 479.53 |
| InChIKey | WFAULHLDTDDABL-UHFFFAOYSA-N |
| InChI | InChI=1S/C17H25N3O.C6H8O7/c1-4-15(14-10-8-7-9-11-14)17-18-16(21-19-17)12-13-20(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-11,15H,4-6,12-13H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| SMILES | CCC(C1=CC=CC=C1)C1=NOC(CCN(CC)CC)=N1.O=C(O)CC(O)(CC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H25N3O.C6H8O7/c1-4-15(14-10-8-7-9-11-14)17-18-16(21-19-17)12-13-20(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-11,15H,4-6,12-13H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t15?; |
 |
| SMILES (mnx) | [CH2:22]([C:24](=[O:28])[OH:29])[C:27]([CH2:23][C:25](=[O:30])[OH:31])([C:26](=[O:32])[OH:33])[OH:34].[CH3:1][CH2:4][CH:15]([C:14]1=[CH:10][CH:8]=[CH:7][CH:9]=[CH:11]1)[C:17]1=[N:19][O:21][C:16]([CH2:12][CH2:13][N:20]([CH2:5][CH3:2])[CH2:6][CH3:3])=[N:18]1 |
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