| Properties | Image |
|---|
| MNX_ID | MNXM1192797 |
 |
| reference | envipathM:...7754f8a20bd8 |
| formula | C31H30N3O8 |
| global charge | -1 |
| mol weight | 572.594 |
| InChIKey | BQZMYQUXUWMMKO-UHFFFAOYSA-M |
| InChI | InChI=1S/C31H31N3O8/c35-20-32-24-9-3-21(4-10-24)17-22-5-11-25(12-6-22)33-30(38)40-15-1-2-16-41-31(39)34-26-13-7-23(8-14-26)18-27(29(36)37)28-19-42-28/h3-14,27-28H,1-2,15-19H2,(H,33,38)(H,34,39)(H,36,37)/p-1 |
| SMILES | O=C=NC1=CC=C(CC2=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/C31H31N3O8/c35-20-32-24-9-3-21(4-10-24)17-22-5-11-25(12-6-22)33-30(38)40-15-1-2-16-41-31(39)34-26-13-7-23(8-14-26)18-27(29(36)37)28-19-42-28/h3-14,27-28H,1-2,15-19H2,(H,33,38)(H,34,39)(H,36,37)/t27?,28? |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][CH2:16][O:41][C:31]([NH:34][C:26]1=[CH:14][CH:8]=[C:23]([CH2:18][CH:27]([CH:28]2[CH2:19][O:42]2)[C:29](=[O:36])[OH:37])[CH:7]=[CH:13]1)=[O:39])[CH2:15][O:40][C:30]([NH:33][C:25]1=[CH:12][CH:6]=[C:22]([CH2:17][C:21]2=[CH:4][CH:10]=[C:24]([N:32]=[C:20]=[O:35])[CH:9]=[CH:3]2)[CH:5]=[CH:11]1)=[O:38] |
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