| Properties | Image |
|---|
| MNX_ID | MNXM744840 |
 |
| reference | biggM:phephethr |
| formula | C22H27N3O5 |
| global charge | 0 |
| mol weight | 413.474 |
| InChIKey | MGLBSROLWAWCKN-DQEVTTJGSA-N |
| InChI | InChI=1S/C22H27N3O5/c1-14(26)19(22(29)30)25-21(28)18(13-16-10-6-3-7-11-16)24-20(27)17(23)12-15-8-4-2-5-9-15/h2-11,14,17-19,26H,12-13,23H2,1H3,(H,24,27)(H,25,28)(H,29,30)/t14-,17-,18+,19-/m1/s1 |
| SMILES | C[C@@H](O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](N)CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C22H27N3O5/c1-14(26)19(22(29)30)25-21(28)18(13-16-10-6-3-7-11-16)24-20(27)17(23)12-15-8-4-2-5-9-15/h2-11,14,17-19,26H,12-13,23H2,1H3,(H,24,27)(H,25,28)(H,29,30)/t14-,17-,18+,19-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:14]([C@H:19]([C:22](=[O:29])[OH:30])[N:25]=[C:21]([C@H:18]([CH2:13][C:16]1=[CH:10][CH:6]=[CH:3][CH:7]=[CH:11]1)[N:24]=[C:20]([C@@H:17]([CH2:12][C:15]1=[CH:8][CH:4]=[CH:2][CH:5]=[CH:9]1)[NH2:23])[OH:27])[OH:28])[OH:26] |
|