| Properties | Image |
|---|
| MNX_ID | MNXM1175492 |
 |
| reference | envipathM:...f61ab62abec7 |
| formula | C32H31N3O10 |
| global charge | -2 |
| mol weight | 617.611 |
| InChIKey | DETKPHNPGJXBMZ-UHFFFAOYSA-L |
| InChI | InChI=1S/C32H33N3O10/c1-20(27(36)28(37)29(38)39)18-21-4-12-25(13-5-21)34-31(42)44-16-2-3-17-45-32(43)35-26-14-8-23(9-15-26)19-22-6-10-24(11-7-22)33-30(40)41/h4-15,27,33,36H,1-3,16-19H2,(H,34,42)(H,35,43)(H,38,39)(H,40,41)/p-2 |
| SMILES | C=C(CC1=CC=C(NC(=O)OCCCCOC(=O)NC2=CC=C(CC3=CC=C(NC(=O)[O-])C=C3)C=C2)C=C1)C(O)C(=O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C32H33N3O10/c1-20(27(36)28(37)29(38)39)18-21-4-12-25(13-5-21)34-31(42)44-16-2-3-17-45-32(43)35-26-14-8-23(9-15-26)19-22-6-10-24(11-7-22)33-30(40)41/h4-15,27,33,36H,1-3,16-19H2,(H,34,42)(H,35,43)(H,38,39)(H,40,41)/t27? |
 |
| SMILES (mnx) | [CH2:1]=[C:20]([CH2:18][C:21]1=[CH:5][CH:13]=[C:25]([NH:34][C:31](=[O:42])[O:44][CH2:16][CH2:2][CH2:3][CH2:17][O:45][C:32]([NH:35][C:26]2=[CH:15][CH:9]=[C:23]([CH2:19][C:22]3=[CH:7][CH:11]=[C:24]([NH:33][C:30](=[O:40])[OH:41])[CH:10]=[CH:6]3)[CH:8]=[CH:14]2)=[O:43])[CH:12]=[CH:4]1)[CH:27]([C:28]([C:29]([OH:38])=[O:39])=[O:37])[OH:36] |
|