| Properties | Image |
|---|
| MNX_ID | MNXM1138406 |
 |
| reference | envipathM:...85d1dbef2493 |
| formula | C33H29N3O8 |
| global charge | 0 |
| mol weight | 595.608 |
| InChIKey | RLIPRXZBMNAJMR-UHFFFAOYSA-N |
| InChI | InChI=1S/C33H29N3O8/c37-21-34-26-8-1-22(2-9-26)17-23-3-10-27(11-4-23)35-32(41)43-16-15-29(38)20-44-33(42)36-28-12-5-24(6-13-28)18-25-7-14-30(39)31(40)19-25/h1-14,19,39-40H,15-18,20H2,(H,35,41)(H,36,42) |
| SMILES | O=C=NC1=CC=C(CC2=CC=C(NC(=O)OCCC(=O)COC(=O)NC3=CC=C(CC4=CC=C(O)C(O)=C4)C=C3)C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C33H29N3O8/c37-21-34-26-8-1-22(2-9-26)17-23-3-10-27(11-4-23)35-32(41)43-16-15-29(38)20-44-33(42)36-28-12-5-24(6-13-28)18-25-7-14-30(39)31(40)19-25/h1-14,19,39-40H,15-18,20H2,(H,35,41)(H,36,42) |
 |
| SMILES (mnx) | [CH:1]1=[CH:8][C:26]([N:34]=[C:21]=[O:37])=[CH:9][CH:2]=[C:22]1[CH2:17][C:23]1=[CH:4][CH:11]=[C:27]([NH:35][C:32](=[O:41])[O:43][CH2:16][CH2:15][C:29]([CH2:20][O:44][C:33]([NH:36][C:28]2=[CH:13][CH:6]=[C:24]([CH2:18][C:25]3=[CH:19][C:31]([OH:40])=[C:30]([OH:39])[CH:14]=[CH:7]3)[CH:5]=[CH:12]2)=[O:42])=[O:38])[CH:10]=[CH:3]1 |
|