| Properties | Image |
|---|
| MNX_ID | MNXM100879 |
 |
| reference | chebi:70492 |
| formula | C23H28N2O5 |
| global charge | 0 |
| mol weight | 412.486 |
| InChIKey | BPXHFWZHURFHEN-KBHVJUHDSA-N |
| InChI | InChI=1S/C23H28N2O5/c1-4-29-22(27)30-13(2)15-12-25-10-9-23-16-7-5-6-8-17(16)24-20(23)19(21(26)28-3)14(15)11-18(23)25/h5-8,13-15,18,24H,4,9-12H2,1-3H3/t13-,14+,15-,18+,23-/m1/s1 |
| SMILES | CCOC(=O)O[C@H](C)[C@H]1CN2CC[C@]34C5=CC=CC=C5NC3=C(C(=O)OC)[C@H]1C[C@H]24 |
MNX internals
| InChI (mnx) | InChI=1/C23H28N2O5/c1-4-29-22(27)30-13(2)15-12-25-10-9-23-16-7-5-6-8-17(16)24-20(23)19(21(26)28-3)14(15)11-18(23)25/h5-8,13-15,18,24H,4,9-12H2,1-3H3/t13-,14+,15-,18+,23-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][O:29][C:22](=[O:27])[O:30][C@H:13]([CH3:2])[C@H:15]1[CH2:12][N:25]2[CH2:10][CH2:9][C@:23]34[C:16]5=[CH:7][CH:5]=[CH:6][CH:8]=[C:17]5[NH:24][C:20]3=[C:19]([C:21](=[O:26])[O:28][CH3:3])[C@H:14]1[CH2:11][C@@H:18]42 |
|