| Properties | Image |
|---|
| MNX_ID | MNXM528913 |
 |
| reference | chebi:103293 |
| formula | C24H28N2O4 |
| global charge | 0 |
| mol weight | 408.498 |
| InChIKey | BOAJGZQCXTZFHN-KRXUUXHPSA-N |
| InChI | InChI=1S/C24H28N2O4/c1-3-7-17-10-11-20-21-18(14-26(20)23(17)28)19(15-27)22(24(29)30-2)25(21)13-12-16-8-5-4-6-9-16/h3-11,18-19,21-22,27H,12-15H2,1-2H3/t18-,19-,21+,22-/m1/s1 |
| SMILES | CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@@H](CO)[C@H](C(=O)OC)N3CCC1=CC=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C24H28N2O4/c1-3-7-17-10-11-20-21-18(14-26(20)23(17)28)19(15-27)22(24(29)30-2)25(21)13-12-16-8-5-4-6-9-16/h3-11,18-19,21-22,27H,12-15H2,1-2H3/b7-3?/t18-,19-,21+,22-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:3]=[CH:7][C:17]1=[CH:10][CH:11]=[C:20]2[C@@H:21]3[C@H:18]([CH2:14][N:26]2[C:23]1=[O:28])[C@@H:19]([CH2:15][OH:27])[C@H:22]([C:24](=[O:29])[O:30][CH3:2])[N:25]3[CH2:13][CH2:12][C:16]1=[CH:8][CH:5]=[CH:4][CH:6]=[CH:9]1 |
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