| Properties | Image |
|---|
| MNX_ID | MNXM1180467 |
 |
| reference | envipathM:...297ff03f9359 |
| formula | C34H30N4O9 |
| global charge | 0 |
| mol weight | 638.633 |
| InChIKey | VERPGONXQWXTQM-UHFFFAOYSA-N |
| InChI | InChI=1S/C34H30N4O9/c39-20-35-26-9-3-22(4-10-26)17-23-5-11-27(12-6-23)37-33(44)46-15-1-2-16-47-34(45)38-28-13-7-24(8-14-28)18-25-19-29(41)30(36-21-40)32(43)31(25)42/h3-14,19,41-43H,1-2,15-18H2,(H,37,44)(H,38,45) |
| SMILES | O=C=NC1=CC=C(CC2=CC=C(NC(=O)OCCCCOC(=O)NC3=CC=C(CC4=C(O)C(O)=C(N=C=O)C(O)=C4)C=C3)C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C34H30N4O9/c39-20-35-26-9-3-22(4-10-26)17-23-5-11-27(12-6-23)37-33(44)46-15-1-2-16-47-34(45)38-28-13-7-24(8-14-28)18-25-19-29(41)30(36-21-40)32(43)31(25)42/h3-14,19,41-43H,1-2,15-18H2,(H,37,44)(H,38,45) |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][CH2:16][O:47][C:34]([NH:38][C:28]1=[CH:14][CH:8]=[C:24]([CH2:18][C:25]2=[CH:19][C:29]([OH:41])=[C:30]([N:36]=[C:21]=[O:40])[C:32]([OH:43])=[C:31]2[OH:42])[CH:7]=[CH:13]1)=[O:45])[CH2:15][O:46][C:33]([NH:37][C:27]1=[CH:12][CH:6]=[C:23]([CH2:17][C:22]2=[CH:4][CH:10]=[C:26]([N:35]=[C:20]=[O:39])[CH:9]=[CH:3]2)[CH:5]=[CH:11]1)=[O:44] |
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