| Properties | Image |
|---|
| MNX_ID | MNXM1191448 |
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| reference | envipathM:...fd5a99b9ce6d |
| formula | C34H32N4O11 |
| global charge | -2 |
| mol weight | 672.647 |
| InChIKey | VAHZVIAEFWGWQF-UHFFFAOYSA-L |
| InChI | InChI=1S/C34H34N4O11/c39-28(22-7-13-24(14-8-22)36-32(44)45)26-15-16-27(30(41)29(26)40)38-34(47)49-18-2-1-17-48-33(46)37-25-11-5-21(6-12-25)19-20-3-9-23(10-4-20)35-31(42)43/h3-16,28,35-36,39-41H,1-2,17-19H2,(H,37,46)(H,38,47)(H,42,43)(H,44,45)/p-2 |
| SMILES | O=C([O-])NC1=CC=C(CC2=CC=C(NC(=O)OCCCCOC(=O)NC3=CC=C(C(O)C4=CC=C(NC(=O)[O-])C=C4)C(O)=C3O)C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C34H34N4O11/c39-28(22-7-13-24(14-8-22)36-32(44)45)26-15-16-27(30(41)29(26)40)38-34(47)49-18-2-1-17-48-33(46)37-25-11-5-21(6-12-25)19-20-3-9-23(10-4-20)35-31(42)43/h3-16,28,35-36,39-41H,1-2,17-19H2,(H,37,46)(H,38,47)(H,42,43)(H,44,45)/t28? |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:18][O:49][C:34](=[N:38][C:27]1=[C:30]([OH:41])[C:29]([OH:40])=[C:26]([CH:28]([C:22]2=[CH:8][CH:14]=[C:24]([NH:36][C:32](=[O:44])[OH:45])[CH:13]=[CH:7]2)[OH:39])[CH:15]=[CH:16]1)[OH:47])[CH2:17][O:48][C:33]([NH:37][C:25]1=[CH:12][CH:6]=[C:21]([CH2:19][C:20]2=[CH:4][CH:10]=[C:23]([NH:35][C:31](=[O:42])[OH:43])[CH:9]=[CH:3]2)[CH:5]=[CH:11]1)=[O:46] |
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