| Properties | Image |
|---|
| MNX_ID | MNXM1193440 |
 |
| reference | envipathM:...3a92144140c7 |
| formula | C33H32N4O8 |
| global charge | 0 |
| mol weight | 612.639 |
| InChIKey | HZIUEGLYEAOVLE-UHFFFAOYSA-N |
| InChI | InChI=1S/C33H32N4O8/c34-25-8-1-21(2-9-25)17-22-5-12-27(13-6-22)36-32(42)44-16-15-28(39)19-45-33(43)37-29-14-7-24(30(40)31(29)41)18-23-3-10-26(11-4-23)35-20-38/h1-14,28,39-41H,15-19,34H2,(H,36,42)(H,37,43) |
| SMILES | NC1=CC=C(CC2=CC=C(NC(=O)OCCC(O)COC(=O)NC3=CC=C(CC4=CC=C(N=C=O)C=C4)C(O)=C3O)C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C33H32N4O8/c34-25-8-1-21(2-9-25)17-22-5-12-27(13-6-22)36-32(42)44-16-15-28(39)19-45-33(43)37-29-14-7-24(30(40)31(29)41)18-23-3-10-26(11-4-23)35-20-38/h1-14,28,39-41H,15-19,34H2,(H,36,42)(H,37,43)/t28? |
 |
| SMILES (mnx) | [CH:1]1=[CH:8][C:25]([NH2:34])=[CH:9][CH:2]=[C:21]1[CH2:17][C:22]1=[CH:6][CH:13]=[C:27]([NH:36][C:32](=[O:42])[O:44][CH2:16][CH2:15][CH:28]([CH2:19][O:45][C:33](=[N:37][C:29]2=[C:31]([OH:41])[C:30]([OH:40])=[C:24]([CH2:18][C:23]3=[CH:4][CH:11]=[C:26]([N:35]=[C:20]=[O:38])[CH:10]=[CH:3]3)[CH:7]=[CH:14]2)[OH:43])[OH:39])[CH:12]=[CH:5]1 |
|