| Properties | Image |
|---|
| MNX_ID | MNXM1181537 |
 |
| reference | envipathM:...9b4ae9266a51 |
| formula | C27H22N3O8 |
| global charge | -1 |
| mol weight | 516.486 |
| InChIKey | IYRYZHKFBOIUSF-UHFFFAOYSA-M |
| InChI | InChI=1S/C27H23N3O8/c31-17-28-21-9-3-18(4-10-21)24(32)19-5-11-22(12-6-19)29-26(35)37-15-1-2-16-38-27(36)30-23-13-7-20(8-14-23)25(33)34/h3-14H,1-2,15-16H2,(H,29,35)(H,30,36)(H,33,34)/p-1 |
| SMILES | O=C=NC1=CC=C(C(=O)C2=CC=C(NC(=O)OCCCCOC(=O)NC3=CC=C(C(=O)[O-])C=C3)C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C27H23N3O8/c31-17-28-21-9-3-18(4-10-21)24(32)19-5-11-22(12-6-19)29-26(35)37-15-1-2-16-38-27(36)30-23-13-7-20(8-14-23)25(33)34/h3-14H,1-2,15-16H2,(H,29,35)(H,30,36)(H,33,34) |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][CH2:16][O:38][C:27]([NH:30][C:23]1=[CH:14][CH:8]=[C:20]([C:25]([OH:33])=[O:34])[CH:7]=[CH:13]1)=[O:36])[CH2:15][O:37][C:26]([NH:29][C:22]1=[CH:12][CH:6]=[C:19]([C:24]([C:18]2=[CH:4][CH:10]=[C:21]([N:28]=[C:17]=[O:31])[CH:9]=[CH:3]2)=[O:32])[CH:5]=[CH:11]1)=[O:35] |
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