| Properties | Image |
|---|
| MNX_ID | MNXM1176458 |
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| reference | envipathM:...f946f223534a |
| formula | C31H30N3O8 |
| global charge | -1 |
| mol weight | 572.594 |
| InChIKey | LKJASPPSGPZAGM-UHFFFAOYSA-M |
| InChI | InChI=1S/C31H31N3O8/c35-21-32-25-12-8-23(9-13-25)20-24-10-16-27(17-11-24)34-31(40)42-19-2-1-18-41-30(39)33-26-14-6-22(7-15-26)4-3-5-28(36)29(37)38/h3,5-17,28,36H,1-2,4,18-20H2,(H,33,39)(H,34,40)(H,37,38)/p-1 |
| SMILES | O=C=NC1=CC=C(CC2=CC=C(NC(=O)OCCCCOC(=O)NC3=CC=C(CC=CC(O)C(=O)[O-])C=C3)C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C31H31N3O8/c35-21-32-25-12-8-23(9-13-25)20-24-10-16-27(17-11-24)34-31(40)42-19-2-1-18-41-30(39)33-26-14-6-22(7-15-26)4-3-5-28(36)29(37)38/h3,5-17,28,36H,1-2,4,18-20H2,(H,33,39)(H,34,40)(H,37,38)/b5-3?/t28? |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:19][O:42][C:31]([NH:34][C:27]1=[CH:17][CH:11]=[C:24]([CH2:20][C:23]2=[CH:9][CH:13]=[C:25]([N:32]=[C:21]=[O:35])[CH:12]=[CH:8]2)[CH:10]=[CH:16]1)=[O:40])[CH2:18][O:41][C:30]([NH:33][C:26]1=[CH:15][CH:7]=[C:22]([CH2:4][CH:3]=[CH:5][CH:28]([C:29](=[O:37])[OH:38])[OH:36])[CH:6]=[CH:14]1)=[O:39] |
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