| Properties | Image |
|---|
| MNX_ID | MNXM1187387 |
 |
| reference | envipathM:...80637bb1cf2f |
| formula | C33H32N4O10 |
| global charge | 0 |
| mol weight | 644.637 |
| InChIKey | SHWLQYYDGSVBLZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C33H32N4O10/c34-28-27(40)16-26(30(42)31(28)43)29(41)21-5-11-24(12-6-21)37-33(45)47-17-25(39)13-14-46-32(44)36-23-9-3-20(4-10-23)15-19-1-7-22(8-2-19)35-18-38/h1-12,16,25,29,39-43H,13-15,17,34H2,(H,36,44)(H,37,45) |
| SMILES | NC1=C(O)C(O)=C(C(O)C2=CC=C(NC(=O)OCC(O)CCOC(=O)NC3=CC=C(CC4=CC=C(N=C=O)C=C4)C=C3)C=C2)C=C1O |
MNX internals
| InChI (mnx) | InChI=1/C33H32N4O10/c34-28-27(40)16-26(30(42)31(28)43)29(41)21-5-11-24(12-6-21)37-33(45)47-17-25(39)13-14-46-32(44)36-23-9-3-20(4-10-23)15-19-1-7-22(8-2-19)35-18-38/h1-12,16,25,29,39-43H,13-15,17,34H2,(H,36,44)(H,37,45)/t25?,29? |
 |
| SMILES (mnx) | [CH:1]1=[CH:7][C:22]([N:35]=[C:18]=[O:38])=[CH:8][CH:2]=[C:19]1[CH2:15][C:20]1=[CH:4][CH:10]=[C:23]([NH:36][C:32](=[O:44])[O:46][CH2:14][CH2:13][CH:25]([CH2:17][O:47][C:33]([NH:37][C:24]2=[CH:12][CH:6]=[C:21]([CH:29]([C:26]3=[CH:16][C:27]([OH:40])=[C:28]([NH2:34])[C:31]([OH:43])=[C:30]3[OH:42])[OH:41])[CH:5]=[CH:11]2)=[O:45])[OH:39])[CH:9]=[CH:3]1 |
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