| Properties | Image |
|---|
| MNX_ID | MNXM1181336 |
 |
| reference | envipathM:...864c64310530 |
| formula | C33H32N4O9 |
| global charge | 0 |
| mol weight | 628.638 |
| InChIKey | CDNWWUIGAIHISE-UHFFFAOYSA-N |
| InChI | InChI=1S/C33H32N4O9/c34-23-7-1-20(2-8-23)17-21-3-9-24(10-4-21)37-33(44)46-18-26(39)15-16-45-32(43)36-25-11-5-22(6-12-25)29(40)27-13-14-28(35-19-38)31(42)30(27)41/h1-14,26,29,39-42H,15-18,34H2,(H,36,43)(H,37,44) |
| SMILES | NC1=CC=C(CC2=CC=C(NC(=O)OCC(O)CCOC(=O)NC3=CC=C(C(O)C4=CC=C(N=C=O)C(O)=C4O)C=C3)C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C33H32N4O9/c34-23-7-1-20(2-8-23)17-21-3-9-24(10-4-21)37-33(44)46-18-26(39)15-16-45-32(43)36-25-11-5-22(6-12-25)29(40)27-13-14-28(35-19-38)31(42)30(27)41/h1-14,26,29,39-42H,15-18,34H2,(H,36,43)(H,37,44)/t26?,29? |
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| SMILES (mnx) | [CH:1]1=[CH:7][C:23]([NH2:34])=[CH:8][CH:2]=[C:20]1[CH2:17][C:21]1=[CH:4][CH:10]=[C:24]([NH:37][C:33](=[O:44])[O:46][CH2:18][CH:26]([CH2:15][CH2:16][O:45][C:32]([NH:36][C:25]2=[CH:12][CH:6]=[C:22]([CH:29]([C:27]3=[C:30]([OH:41])[C:31]([OH:42])=[C:28]([N:35]=[C:19]=[O:38])[CH:14]=[CH:13]3)[OH:40])[CH:5]=[CH:11]2)=[O:43])[OH:39])[CH:9]=[CH:3]1 |
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