| Properties | Image |
|---|
| MNX_ID | MNXM161238 |
 |
| reference | chebi:32151 |
| formula | C27H32N2O6 |
| global charge | 0 |
| mol weight | 480.561 |
| InChIKey | RXZMMZZRUPYENV-DZSUWJOWSA-N |
| InChI | InChI=1S/C23H26N2O2.C4H6O4/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19;5-3(6)1-2-4(7)8/h1-9,18,21-22H,10-16H2;1-2H2,(H,5,6)(H,7,8)/t21?,22-;/m0./s1 |
| SMILES | O=C(O)CCC(=O)O.O=C(O[C@@H]1CN2CCC1CC2)N1CCC2=C(C=CC=C2)[C@@H]1C1=CC=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C23H26N2O2.C4H6O4/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19;5-3(6)1-2-4(7)8/h1-9,18,21-22H,10-16H2;1-2H2,(H,5,6)(H,7,8)/t21?,22-;/m0./s1 |
 |
| SMILES (mnx) | [CH2:28]([CH2:29][C:31](=[O:34])[OH:35])[C:30](=[O:32])[OH:33].[CH:1]1=[CH:2][CH:7]=[C:19]([C@H:22]2[C:20]3=[CH:9][CH:5]=[CH:4][CH:6]=[C:17]3[CH2:12][CH2:15][N:25]2[C:23](=[O:26])[O:27][CH:21]2[CH2:16][N:24]3[CH2:13][CH2:10][CH:18]2[CH2:11][CH2:14]3)[CH:8]=[CH:3]1 |
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