| Properties | Image |
|---|
| MNX_ID | MNXM528216 |
 |
| reference | chebi:99589 |
| formula | C23H31N3O4 |
| global charge | 0 |
| mol weight | 413.518 |
| InChIKey | FTXRYBFBPIDHAK-LMQGHGSNSA-N |
| InChI | InChI=1S/C23H31N3O4/c1-3-11-24-22(29)20-16(13-27)18-12-25-17(21(20)26(18)19(28)4-2)10-9-15(23(25)30)14-7-5-6-8-14/h7,9-10,16,18,20-21,27H,3-6,8,11-13H2,1-2H3,(H,24,29)/t16-,18-,20+,21+/m1/s1 |
| SMILES | CCCNC(=O)[C@H]1[C@H](CO)[C@H]2CN3C(=O)C(C4=CCCC4)=CC=C3[C@@H]1N2C(=O)CC |
MNX internals
| InChI (mnx) | InChI=1/C23H31N3O4/c1-3-11-24-22(29)20-16(13-27)18-12-25-17(21(20)26(18)19(28)4-2)10-9-15(23(25)30)14-7-5-6-8-14/h7,9-10,16,18,20-21,27H,3-6,8,11-13H2,1-2H3,(H,24,29)/t16-,18-,20+,21+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:11][N:24]=[C:22]([C@H:20]1[C@H:16]([CH2:13][OH:27])[C@H:18]2[CH2:12][N:25]3[C:17](=[CH:10][CH:9]=[C:15]([C:14]4=[CH:7][CH2:5][CH2:6][CH2:8]4)[C:23]3=[O:30])[C@@H:21]1[N:26]2[C:19]([CH2:4][CH3:2])=[O:28])[OH:29] |
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