| Properties | Image |
|---|
| MNX_ID | MNXM1180014 |
 |
| reference | envipathM:...9525492202de |
| formula | C31H31N3O10 |
| global charge | -2 |
| mol weight | 605.6 |
| InChIKey | YVCJPNRVLZGGJC-UHFFFAOYSA-L |
| InChI | InChI=1S/C31H33N3O10/c35-27(20-5-11-22(12-6-20)32-29(38)39)21-7-13-24(14-8-21)34-31(41)43-16-2-1-15-42-30(40)33-23-9-3-19(4-10-23)17-25(28(36)37)26-18-44-26/h3-14,25-27,32,35H,1-2,15-18H2,(H,33,40)(H,34,41)(H,36,37)(H,38,39)/p-2 |
| SMILES | O=C([O-])NC1=CC=C(C(O)C2=CC=C(NC(=O)OCCCCOC(=O)NC3=CC=C(CC(C(=O)[O-])C4CO4)C=C3)C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C31H33N3O10/c35-27(20-5-11-22(12-6-20)32-29(38)39)21-7-13-24(14-8-21)34-31(41)43-16-2-1-15-42-30(40)33-23-9-3-19(4-10-23)17-25(28(36)37)26-18-44-26/h3-14,25-27,32,35H,1-2,15-18H2,(H,33,40)(H,34,41)(H,36,37)(H,38,39)/t25?,26?,27? |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][CH2:16][O:43][C:31]([NH:34][C:24]1=[CH:14][CH:8]=[C:21]([CH:27]([C:20]2=[CH:6][CH:12]=[C:22]([NH:32][C:29](=[O:38])[OH:39])[CH:11]=[CH:5]2)[OH:35])[CH:7]=[CH:13]1)=[O:41])[CH2:15][O:42][C:30]([NH:33][C:23]1=[CH:10][CH:4]=[C:19]([CH2:17][CH:25]([CH:26]2[CH2:18][O:44]2)[C:28](=[O:36])[OH:37])[CH:3]=[CH:9]1)=[O:40] |
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